SCHEMBL518868

SCHEMBL518868

Cc1cccc(-c2ccc(N=C=O)c(C)c2N=C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
NR3C2 P08235 1/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
TRPA1 O75762 1/20 0.35
MAOB P27338 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
PGR P06401 1/20 0.34
SLC9A1 P19634 2/20 0.32
NPC1 O15118 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29521601 1.00 CYP3A4 (0.50) CYP3A4NR3C2CNR2CNR1GABRA1
Methane SCHEMBL29152931 0.99 CYP3A4 (0.49) CYP3A4NR3C2CNR2CNR1GABRA1
SCHEMBL30099840 0.85 CYP3A4 (0.46) CYP3A4NR3C2CNR2CNR1GABRA1
SCHEMBL28918536 0.84 CYP3A4 (0.52) CYP3A4GABRA1GABRB2ALDH1A1TDP1
SCHEMBL15550451 0.80 GABRA1 (0.40) CYP3A4NR3C2CNR2CNR1GABRA1
SCHEMBL2405821 0.78 CYP3A4 (0.52) CYP3A4CNR2CNR1ALDH1A1TDP1
SCHEMBL28809312 0.78 CYP3A4 (0.55) CYP3A4GABRA1GABRB2ALDH1A1TDP1
SCHEMBL583815 0.77 CYP3A4 (0.42) CYP3A4CNR2CNR1GABRA1GABRB2
SCHEMBL3635500 0.73 GABRA1 (0.37) CYP3A4GABRA1GABRB2ALDH1A1TDP1
SCHEMBL3680230 0.73 CYP3A4 (0.61) CYP3A4GABRA1GABRB2ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 604 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368823-A1 MODIFIED POLYURETHANE MATERIAL WITH EXCELLENT RAIN EROSION RESISTANCE AND WEATHER RESISTANCE, AND PREPARATION METHOD AND USE THEREOF ZHUZHOU TIMES NEW MATERIALTECHNOLOGYCO.,LTD, (CN) 2025-12-04 US claimed
EP-4653482-A1 MODIFIED POLYURETHANE MATERIAL HAVING EXCELLENT RAIN EROSION RESISTANCE AND WEATHER RESISTANCE, PREPARATION METHOD THEREFOR, AND USE THEREOF Zhuzhou Times New Material Technology Co., Ltd. (CN) 2025-11-26 EP claimed
EP-3538578-B1 EXPANDED THERMOPLASTIC POLYURETHANE PARTICLES, METHOD FOR THEIR MANUFACTURE AND METHOD FOR PRODUCING A MOULDED PART BASF SE (DE) 2025-03-05 EP claimed
US-12215183-B2 Expanded thermoplastic polyurethane beads, production thereof and production of a molded part BASF SE (DE) 2025-02-04 US claimed
WO-2024153007-A1 MODIFIED POLYURETHANE MATERIAL HAVING EXCELLENT RAIN EROSION RESISTANCE AND WEATHER RESISTANCE, PREPARATION METHOD THEREFOR, AND USE THEREOF 株洲时代新材料科技股份有限公司 2024-07-25 WO claimed
CN-118222101-A Hydrogen bond enhanced graphene composite shape memory polymer and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-06-21 CN claimed
CN-118206975-A Delayed crosslinking silicon point nano crosslinking agent and preparation method and application thereof 中国石油大学(华东) 2024-06-18 CN claimed
CN-117986597-A PI-PUU block shape memory copolymer, and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-05-07 CN claimed
CN-117986596-A Method for preparing cross-linked PI-PUU polyfluoro block copolymer by solvent-free method 中国科学院兰州化学物理研究所 2024-05-07 CN claimed
CN-117659330-A Self-repairing flexible bionic composite material with high tear resistance and preparation method thereof 南京理工大学 2024-03-08 CN claimed
EP-2176311-B1 THERMOPLASTIC MATERIAL POST-CROSSLINKABLE AFTER TRANSFORMATION AND MOULDED ARTICLES STABLE AT A VERY HIGH TEMPERATURE AND OBTAINED AFTER TRANSFORMATION SETUP PERFORMANCE (FR) 2011-06-22 EP claimed
US-7915372-B2 Thermoplastic polyurethane comprising silane groups BASF AKTIENGESELLSCHAFT (DE) 2011-03-29 US claimed
EP-2176311-A2 THERMOPLASTIC MATERIAL POST-CROSSLINKABLE AFTER TRANSFORMATION AND MOULDED ARTICLES STABLE AT A VERY HIGH TEMPERATURE AND OBTAINED AFTER TRANSFORMATION Setup Performance (FR) 2010-04-21 EP claimed
EP-2164935-A1 LUBRICATING GREASE COMPOSITION Klüber Lubrication München KG (DE) 2010-03-24 EP claimed
WO-2009022076-A2 THERMOPLASTIC MATERIAL POST-CROSSLINKABLE AFTER TRANSFORMATION AND MOULDED ARTICLES STABLE AT A VERY HIGH TEMPERATURE AND OBTAINED AFTER TRANSFORMATION SETUP PERFORMANCE (FR) 2009-02-19 WO claimed
WO-2008154997-A1 LUBRICATING GREASE COMPOSITION KLüBER LUBRICATION MüNCHEN KG (DE) 2008-12-24 WO claimed
EP-0910596-B1 PROCESS FOR PREPARING CELLULAR POLYURETHANE ELASTOMERS AND ISOCYANATE PREPOLYMERS SUITABLE FOR THIS PURPOSE BASF AG (DE) 2002-05-02 EP claimed
EP-0850260-B1 METHOD OF PREPARING CELLULAR POLYURETHANE ELASTOMERS AND ISOCYANATE PREPOLYMERS SUITABLE THEREFOR BASF AG (DE) 2002-01-16 EP claimed
US-6310114-B1 REACTING A POLYHYDROXY COMPOUND HAVING MOLECULAR WEIGHT FORM 800 TO 6000 AND NAPHTHYLENE 1,5-DIISOCYANATE AND AT LEAST ONE ADDITIONAL AROMATIC DIISOCYANATE IF DESIRED, CHAIN EXTENDER AND/OR CROSSLINKERS BASF AKTIENGESELLSCHAFT (DE) 2001-10-30 US claimed
US-6197839-B1 Process for preparing compact or cellular polyurethane elastomers and isocyanate prepolymers suitable for this purpose BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US claimed