SCHEMBL1338441

SCHEMBL1338441

CC(C=O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP19A1 P11511 4/20 0.37
MAPT P10636 2/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTGS2 P35354 1/20 0.34
FFAR2 O15552 1/20 0.34
CYP17A1 P05093 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TYR P14679 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21628043 0.82 TYR (0.46) PTGS2FFAR2TYR
SCHEMBL20239986 0.78 CYP3A4 (0.44) CYP3A4CYP2C19GAASLC6A2SLC6A4
Acetaldehyde SCHEMBL27532152 0.76 TYR (0.48) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL874206 0.75 TYR (0.58) GAAMAPTTYRALDH1A1
SCHEMBL60688 0.75 TRPA1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL29595346 0.75 TYR (0.41) PTGS2TYR
SCHEMBL111850 0.75 TRPA1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL454717 0.75 TYR (0.58) GAAMAPTTYRALDH1A1
SCHEMBL242307 0.75 SLC6A2 (0.42) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL717611 0.75 TRPA1 (0.47) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102491969-B Heteroaromatic quinoline compounds and the purposes as PDE10 inhibitor thereof PFIZER PRODUCTS INC. (US) 2015-08-19 CN disclosed
CN-102131801-B 1, 2 disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC 2015-04-08 CN disclosed
EP-2822924-A1 METHOD FOR SYNTHESISING AMINOBIPHENYLS USING ARYL HYDRAZINES BASF SE (DE) 2015-01-14 EP disclosed
US-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
EP-2294051-B1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
EP-2683682-A1 PROCESS FOR THE SYNTHESIS OF AMINOBIPHENYLENE BASF SE (DE) 2014-01-15 EP disclosed
CN-103517893-A Method for synthesizing aminobiphenyl BASF SE 2014-01-15 CN disclosed
WO-2013132006-A1 METHOD FOR SYNTHESISING AMINOBIPHENYLS USING ARYL HYDRAZINES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2013-09-12 WO disclosed
EP-2546229-A1 Method for synthesising aminobiphenyls Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2013-01-16 EP disclosed
WO-2012120003-A1 PROCESS FOR THE SYNTHESIS OF AMINOBIPHENYLENE Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2012-09-13 WO disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
CN-1329648-A Material consisting of cyanoacrylate and aldehyde-or ketone-condensation products for adhesives, coatings and sealants HENKEL KGAA (DE) 2002-01-02 CN disclosed
EP-1066304-A1 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-01-10 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-1999050275-A2 MACROLIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1999-10-07 WO disclosed
US-5955440-A 3'-N-DESMETHYL-3'-N-SUBSTITUTED-6-O-METHYL-11-DEOXY-11,12-CYCL IC CARBAMATE ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1999-09-21 US disclosed
WO-1995011678-A9 USE OF NICOTINE SUBSTITUTES FOR THE TREATMENT OF NICOTINE WITHDRAWAL 1995-06-08 WO disclosed
WO-1995011678-A1 USE OF NICOTINE SUBSTITUTES FOR THE TREATMENT OF NICOTINE WITHDRAWAL DYNAGEN, INC. (US) 1995-05-04 WO disclosed
CN-1021910-C LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-08-25 CN disclosed