SCHEMBL406943

SCHEMBL406943

CCOc1cc(N=C=O)c(CC)cc1N=C=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 3/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 2/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL542562 0.91 CYP3A4 (0.43) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL11589247 0.87 ALDH1A1 (0.34) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL9623392 0.85 CYP3A4 (0.42) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL11591392 0.84 CYP3A4 (0.54) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL9623007 0.83 GABRA1 (0.50) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL10533157 0.81 ALDH1A1 (0.37) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL9446500 0.81 ALDH1A1 (0.37) CYP3A4ALDH1A1HPGDTDP1MAPT
SCHEMBL6371515 0.78 KDM4E (0.39) CYP3A4ALDH1A1HPGDTDP1MAPT
SCHEMBL28260106 0.77 GABRA1 (0.48) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL2157401 0.76 ALDH1A1 (0.67) GABRA1GABRB2CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250291-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-08-10 US claimed
EP-4179027-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-05-17 EP claimed
US-20230057607-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2023-02-23 US claimed
CN-115551950-A Process for reducing hydrogen sulfide emissions during the production of asphalt compositions 巴斯夫欧洲公司 2022-12-30 CN claimed
CN-114929769-A Bituminous composition comprising a thermosetting reactive compound 巴斯夫欧洲公司 2022-08-19 CN claimed
WO-2022084394-A1 COMPOSITE ARTICLE BASF SE (DE) 2022-04-28 WO claimed
CN-114222771-A Polyurethane gels for medical padding applications 巴斯夫欧洲公司 2022-03-22 CN claimed
WO-2022008754-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2022-01-13 WO claimed
WO-2021148418-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2021-07-29 WO claimed
WO-2021053012-A1 A POLYURETHANE GEL FOR MEDICAL PADDING APPLICATION BASF SE (DE) 2021-03-25 WO claimed
EP-4396268-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION BASF SE (DE) 2024-07-10 EP disclosed
EP-4396411-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION, ASPHALT MIX COMPOSITION AND ITS USE BASF SE (DE) 2024-07-10 EP disclosed
US-20240217165-A1 PROCESS OF MODIFYING SURFACE OF A COMPOSITE MATERIAL BASE UNIT BASF SE (DE) 2024-07-04 US disclosed
WO-2024137400-A1 HYBRID COIL SPRING ISOLATOR BASF SE (DE) 2024-06-27 WO disclosed
WO-2024137411-A1 POLYURETHANE FOAM WITH EO/PO COPOLYMER BASF SE (DE) 2024-06-27 WO disclosed
EP-2350228-A1 A PROPPANT BASF SE (DE) 2011-08-03 EP disclosed
WO-2010049467-A1 A PROPPANT BASF SE (DE) 2010-05-06 WO disclosed
EP-0271914-B1 POLYESTERAMIDE WITH IMPROVED COMPRESSION SET THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP disclosed
US-4772649-A Polyesteramide and sufficient carbodiimide to impart improved compression set THE DOW CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0271914-A2 Polyesteramide with improved compression set THE DOW CHEMICAL COMPANY (US) 1988-06-22 EP disclosed