SCHEMBL825866

SCHEMBL825866

N#Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
HTR2A P28223 2/20 0.46
KCNH2 Q12809 2/20 0.46
SLC6A4 P31645 2/20 0.46
AR P10275 2/20 0.46
AHR P35869 1/20 0.43
TP53 P04637 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
RHEB Q15382 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMO O15229 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 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
SCHEMBL10931372 0.95 VCAM1 (0.50) VCAM1HTR2AKCNH2SLC6A4AR
SCHEMBL9348873 0.82 CYP11B1 (0.53) VCAM1ARMAOAMAOBCA2
SCHEMBL3838602 0.80 VCAM1 (0.50) VCAM1HTR2AKCNH2SLC6A4AR
SCHEMBL16136517 0.80 VCAM1 (0.50) VCAM1HTR2AKCNH2SLC6A4AR
SCHEMBL29898505 0.80 VCAM1 (0.50) VCAM1HTR2AKCNH2SLC6A4AR
SCHEMBL2947436 0.80 TRPV4 (0.59) VCAM1AR
SCHEMBL8303374 0.80 KCNH2 (0.51) VCAM1HTR2AKCNH2SLC6A4SLC6A2
SCHEMBL77027 0.78 CYP3A4 (0.50) VCAM1ARMAOAMAOBCA2
SCHEMBL1798189 0.78 VCAM1 (0.44) VCAM1ARMAOAMAOBCA2
SCHEMBL1311712 0.78 VCAM1 (0.44) VCAM1ARMAOAMAOBCA2

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 502 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
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
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
CN-118807789-B Catalyst for synthesizing 3, 4-dichlorobenzonitrile and preparation method thereof 常州新日催化剂股份有限公司 2025-01-24 CN claimed
CN-119080863-A Oleanolic acid compound and preparation method and application thereof 延边大学 2024-12-06 CN claimed
CN-118807789-A Catalyst for synthesizing 3, 4-dichlorobenzonitrile and preparation method thereof 常州新日催化剂股份有限公司 2024-10-22 CN claimed
CN-118702577-A Preparation method of 1- (1- (3, 4-dichlorophenyl) cyclobutyl) -N, N, 4-trimethylpentane-1-amine hydrochloride 河北维卡金能科技有限公司 2024-09-27 CN claimed
CN-115784928-B Synthesis method of 3, 4-dichlorobenzonitrile 济宁正东化工有限公司 2024-08-30 CN 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
CN-102924329-A Method of ammoxidation synthesis of 3, 4- dichlorobenzonitrile LIANYUNGANG YANGFANG CATALYZE TECHNOLOGY CO LTD 2013-02-13 CN claimed
CN-102603569-A Production method of 3,4-dichlorobenzonitrile NANTONG DONGCHANG CHEMICAL IND CO LTD 2012-07-25 CN claimed
CN-1298787-C Pigment compositions and pigmented water-based coating materials CIBA SC HOLDING AG (CH) 2007-02-07 CN claimed
CN-1451646-A Process for preparing methyl 2,4-dichloro-beta-propylphenylacetate BOCHEN AGROCHEM CO LTD NANJING (CN) 2003-10-29 CN claimed
EP-0635486-B1 Process for the preparation of fluorobenzonitriles CLARIANT GMBH (DE) 1998-12-09 EP claimed
US-5760274-A REACTING BENZOTRICHLORIDE COMPOUND WITH AMMONIA SOURCE IN THE PRESENCE OF A GROUP 2A METAL CATALYST OCCIDENTAL CHEMICAL CORPORATION (US) 1998-06-02 US claimed
US-5466859-A Process for preparing fluorobenzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-14 US claimed
EP-0441004-B1 Process for preparing aromatic nitriles ENICHEM SINTESI (IT) 1995-09-06 EP claimed
EP-0635486-A2 Process for the preparation of fluorobenzonitriles HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-25 EP claimed
EP-0441004-A1 Process for preparing aromatic nitriles ENICHEM SYNTHESIS S.p.A. (IT) 1991-08-14 EP claimed