SCHEMBL45621

SCHEMBL45621

Ic1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 4/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MGLL Q99685 1/20 0.43
KIF11 P52732 1/20 0.43
NOTUM Q6P988 1/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
ALOX5 P09917 1/20 0.42
APP P05067 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5858555 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
SCHEMBL24029558 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
Benzene SCHEMBL28609683 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
Water SCHEMBL7348466 0.97 ALDH1A1 (0.56) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
SCHEMBL20081062 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
SCHEMBL10068158 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
SCHEMBL10068160 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
Biphenyl SCHEMBL10914721 0.90 ALDH1A1 (0.64) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
SCHEMBL27664209 0.89 MEN1 (0.50) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4
SCHEMBL2197871 0.89 MEN1 (0.50) ALDH1A1CYP1A2TAAR1MAPK1CYP3A4

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 1712 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058696-A Compound, preparation method thereof and application of compound as photosensitizer 新加坡国立大学 2025-05-30 CN claimed
CN-118978510-A Preparation method, product and application of polydentate organic ligand and transition metal coordination polymer thereof 吉林大学 2024-11-19 CN claimed
CN-117430632-A Ortho-bis-quaternary phosphonium salt derivative and preparation method thereof 华东理工大学 2024-01-23 CN claimed
CN-117285700-A Modification method and application of gas-phase post-amination super-crosslinked polymer 安徽建筑大学 2023-12-26 CN claimed
CN-117024961-A Resin composition, resin glue solution, prepreg and copper-clad plate thereof 山东金宝电子有限公司 2023-11-10 CN claimed
CN-114085300-B Modified polybutadiene resin and preparation method and application thereof 南亚新材料科技股份有限公司 2023-09-15 CN claimed
CN-116535408-A Preparation method of carbazole organic electroluminescent host material 安徽秀朗新材料科技有限公司 2023-08-04 CN claimed
CN-114618450-B Conjugated microporous polymer composite material, preparation method thereof and adsorbent 北京石墨烯技术研究院有限公司 2022-08-02 CN claimed
CN-114618450-A Conjugated microporous polymer composite material, preparation method thereof and adsorbent 北京石墨烯技术研究院有限公司 2022-06-14 CN claimed
CN-114085300-A Modified polybutadiene resin and preparation method and application thereof 南亚新材料科技股份有限公司 2022-02-25 CN claimed
WO-2011154953-A1 PROCESS FOR THE PREPARATION OF IODIDES TECHNION R&D FOUNDATION LTD. (IL) 2011-12-15 WO claimed
CN-101891569-A Preparation method of alpha-aromatic ketone compound UNIV WUHAN 2010-11-24 CN claimed
CN-100345933-C Novel preparation method for triarylamine analog hole transport materials UNIV FUDAN (CN) 2007-10-31 CN claimed
CN-1769369-A Novel preparation method for triarylamine analog hole transport materials UNIV FUDAN (CN) 2006-05-10 CN claimed
US-5902901-A Arylamine processes XEROX CORPORATION (US) 1999-05-11 US claimed
EP-0856508-A1 Processes for the preparation of arylamines XEROX CORPORATION (US) 1998-08-05 EP claimed
US-5723669-A Arylamine processes XEROX CORPORATION (US) 1998-03-03 US claimed
WO-1994005618-A1 PROCESS FOR THE PRODUCTION OF DIIODOKETONES EASTMAN KODAK COMPANY (US) 1994-03-17 WO claimed
US-5227069-A Polychlorinated biphenyls GENERAL ELECTRIC COMPANY (US) 1993-07-13 US claimed
US-3960566-A Method for dry stabilization of silver halide photographic material FUJI PHOTO FILM CO., LTD. (JA) 1976-06-01 US claimed