SCHEMBL104941

SCHEMBL104941

N#Cc1cc(Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.52
TP53 P04637 2/20 0.48
CYP2A6 P11509 1/20 0.47
TRPV4 Q9HBA0 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
GPR35 Q9HC97 1/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A12 Q96S37 2/20 0.41
IDO1 P14902 1/20 0.41
GRM4 Q14833 1/20 0.39
MCL1 Q07820 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
Fluoride SCHEMBL27571082 0.98 VCAM1 (0.50) VCAM1TP53CYP2A6TRPV4MAOA
SCHEMBL7050401 0.82 MAOA (0.61) VCAM1CYP2A6TRPV4MAOAMAOB
SCHEMBL31441456 0.82 MAOA (0.61) VCAM1CYP2A6TRPV4MAOAMAOB
SCHEMBL101711 0.80 TRPV4 (0.61) VCAM1TP53CYP2A6TRPV4MAOA
SCHEMBL481131 0.78 CYP2A6 (0.46) VCAM1CYP2A6TRPV4MAOAMAOB
SCHEMBL29898505 0.78 VCAM1 (0.50) VCAM1CYP2A6TRPV4MAOAMAOB
SCHEMBL29998893 0.78 CYP2A6 (0.46) VCAM1CYP2A6TRPV4MAOAMAOB
SCHEMBL3838602 0.78 VCAM1 (0.50) VCAM1CYP2A6TRPV4MAOAMAOB
SCHEMBL584161 0.76 HSD17B10 (0.50) VCAM1CYP2A6MAOAMAOBGPR35
SCHEMBL1481701 0.76 VCAM1 (0.48) VCAM1TRPV4MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743438-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2026-05-20 EP claimed
CN-117263937-B PDI free radical derivative and graphene spin field effect transistor 南开大学 2026-05-12 CN claimed
EP-4665705-A1 A PROCESSES FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE CORRESPONDING BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2025-12-24 EP claimed
CN-119751257-A Synthesis method of 2- (5-bromo-2-fluorophenyl) -2-cyclopropylacetic acid methyl ester and analogue thereof 韶远科技(上海)有限公司 2025-04-04 CN claimed
WO-2025068995-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS AARTI INDUSTRIES LIMITED (IN) 2025-04-03 WO claimed
WO-2024171098-A1 A PROCESSES FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE CORRESPONDING BENZOTRICHLORIDE COMPOUNDS AARTI INDUSTRIES LIMITED (IN) 2024-08-22 WO claimed
EP-4255947-B1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-07-03 EP claimed
US-20240026065-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-01-25 US claimed
CN-117263937-A PDI free radical derivative and graphene spin field effect transistor 南开大学 2023-12-22 CN claimed
EP-4255947-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE POLYMERS Covestro Deutschland AG (DE) 2023-10-11 EP claimed
CN-106947075-A A kind of PAEK CABLE MATERIALS resin and its synthetic method 福州通尔达电线电缆有限公司 2017-07-14 CN claimed
CN-106905529-A Cyano-containing and fluorenyl bimaleimide resin and preparation method thereof 大连理工大学 2017-06-30 CN claimed
CN-106905525-A One kind contains itrile group and perfluorocyclobutanearyl aryl-ether structure PAEK and its synthetic method 福州通尔达电线电缆有限公司 2017-06-30 CN claimed
CN-106496558-A One kind can response type poly (arylene ether nitrile) imide resin and preparation method thereof 沈阳航空航天大学 2017-03-15 CN claimed
CN-104629052-B Bismaleimide resin containing cyano group and phthalidyl side group and preparation method thereof 沈阳航空航天大学 2017-02-01 CN claimed
CN-106187928-A A kind of preparation method of irsogladine maleate 安徽省逸欣铭医药科技有限公司 2016-12-07 CN claimed
CN-104629052-A Bismaleimide resin containing cyano group and phthalidyl side group and preparation method thereof UNIV SHENYANG AEROSPACE 2015-05-20 CN claimed
EP-0635486-B1 Process for the preparation of fluorobenzonitriles CLARIANT GMBH (DE) 1998-12-09 EP claimed
US-5466859-A Process for preparing fluorobenzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-14 US claimed
EP-0635486-A2 Process for the preparation of fluorobenzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-25 EP claimed