SCHEMBL49308

SCHEMBL49308

CNc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 4/20 0.56
HPGD P15428 4/20 0.56
TSHR P16473 3/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
CDC25B P30305 1/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 4/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 2/20 0.52
CA12 O43570 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
IDO1 P14902 1/20 0.50
CA3 P07451 1/20 0.50

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
SCHEMBL27759423 0.98 KEAP1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR
Bromide SCHEMBL22401520 0.98 KEAP1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL3211155 0.98 KEAP1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR
Iodide SCHEMBL19990734 0.98 KEAP1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR
Ammonia Solution, Strong SCHEMBL9173305 0.98 KEAP1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL31243299 0.98 KEAP1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL28017457 0.89 KEAP1 (0.61) KEAP1ALDH1A1HSD17B10HPGDTSHR
Cyanate SCHEMBL27867296 0.88 KEAP1 (0.50) KEAP1ALDH1A1HSD17B10HPGDTSHR
Formic Acid SCHEMBL29236421 0.88 KEAP1 (0.55) KEAP1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL1755258 0.87 ALDH1A1 (0.59) KEAP1ALDH1A1HSD17B10HPGDTSHR

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 1461 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137551-A1 AMINE PURIFICATION IN A CARBON CAPTURE METHOD USING MOF BODIES SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2025-06-26 WO claimed
CN-115073303-B Preparation method of terbinafine hydrochloride Z-type isomer 乐泰药业(兰西)有限公司 2025-02-14 CN claimed
CN-116284692-B High-Tg hydrocarbon resin, resin composition for high-frequency copper-clad plate and preparation method and application thereof 四川东材科技集团股份有限公司 2025-02-07 CN claimed
CN-114539277-B 2,4,6, 8-Tetrasubstituted-2, 4,6, 8-tetraazanoradamantan-9-one ethylene glycol 南京理工大学 2024-11-29 CN claimed
CN-114539276-B 2,4,6, 8-Tetrasubstituted-2, 4,6, 8-tetraazaadamantane-9, 10-dione diethylene glycol 南京理工大学 2024-11-29 CN claimed
CN-116444408-B Multi-target-point disulfiram derivative, pharmaceutical composition and antitumor application thereof 山东大学 2023-09-26 CN claimed
CN-116444408-A Multi-target-point disulfiram derivative, pharmaceutical composition and antitumor application thereof 山东大学 2023-07-18 CN claimed
CN-116284692-A high-Tg hydrocarbon resin, resin composition for high-frequency copper-clad plate and preparation method and application thereof 四川东材科技集团股份有限公司 2023-06-23 CN claimed
CN-114832799-B Preparation and application of carbon-point bonded silica gel chromatographic stationary phase based on eutectic solvent 中国科学院兰州化学物理研究所 2023-02-28 CN claimed
CN-115672295-A Preparation and application of imine column [5] arene modified silica gel chromatographic packing 中国科学院兰州化学物理研究所 2023-02-03 CN claimed
CN-1272520-A Normal temp. solidified conveying band joint chloroprene rubber adhesive HUANG HONGXIA (CN) 2000-11-08 CN claimed
US-6090912-A MULTIPLICITY OF SEPARATE SOLID SUPPORTS WITH SURFACE HAVING SUCEPTIBLE LINKER TO SINGLE SPECIES OF TEST COMPOUND AND WITH INTERIOR HAVING ATTACHED NON-CLEAVABLE CODING MOLECULE; FOR SCREENING LIGANDS OR ACCEPTORS SELECTIDE CORPORATION (US) 2000-07-18 US claimed
US-6054614-A Process for the preparation of tetralone imines for the preparation of active pharmaceutical compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-04-25 US claimed
WO-1999055686-A2 PROCESS FOR THE PREPARATION OF TETRALONE IMINES FOR THE PREPARATION OF ACTIVE PHARMACEUTICAL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-11-04 WO claimed
US-5840485-A SYNTHETIC TEST COMPOUNDS ATTACHED TO SEPARATE PHASE SYNTHESIS SUPPORTS THAT ALSO CONTAIN CODING MOLECULES THAT ENCODE THE STRUCTURE OF THE SYNTHETIC TEST COMPOUND SELECTIDE CORPORATION (US) 1998-11-24 US claimed
US-5635582-A Magnetic copolymer, a method of manufacture and applications thereof ALCATEL ALSTHOM COMPAGNIE GENERALE D'ELECTRICITE (FR) 1997-06-03 US claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed
US-5427888-A Positive photosensitive resin composition comprising a polymer having carbon-carbon double bonds, a maleic acid group and a maleimide group NIPPON OIL CO., LTD. (JP) 1995-06-27 US claimed
US-5411836-A Positive type photoresist composition comprising a polymer having carbon-carbon double bonds with a maleic half ester and a maleimide attached to the backbone NIPPON OIL CO., LTD. (JP) 1995-05-02 US claimed
US-4350603-A Novel tris-azo dyes and liquid crystal compositions made therewith GENERAL ELECTRIC COMPANY (US) 1982-09-21 US claimed