SCHEMBL966493

SCHEMBL966493

NC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
TAAR1 Q96RJ0 1/20 0.56
ATM Q13315 1/20 0.56
MAPK8 P45983 1/20 0.56
ACP3 P15309 1/20 0.56
AURKA O14965 1/20 0.55
MAOB P27338 1/20 0.55
SMYD3 Q9H7B4 1/20 0.55
IDO1 P14902 2/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
NR1H3 Q13133 1/20 0.52
GRIN2B Q13224 1/20 0.51

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
SCHEMBL30496803 1.00 EPHX1 (0.59) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL14562984 0.86 EPHX1 (0.46) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL27962719 0.86 AURKA (0.69) MEN1KMT2AMAPTMAPK8AURKA
SCHEMBL18798841 0.86 HDAC1 (0.71) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL6865758 0.85 MEN1 (0.62) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL27962720 0.84 TSHR (0.59) EPHX1MEN1KMT2AMAPTATM
SCHEMBL29935522 0.84 MEN1 (0.65) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL11808569 0.84 MEN1 (0.60) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL378581 0.84 MEN1 (0.65) EPHX1MEN1KMT2AMAPTTAAR1
SCHEMBL31738386 0.83 EPHX1 (0.54) EPHX1MEN1KMT2AMAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN claimed
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 CN claimed
EP-3921317-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-12-15 EP claimed
WO-2020161257-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-13 WO claimed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN claimed
CN-107400088-A 1,3 disubstituted pyrazole analog derivatives and preparation method and application 山东大学 2017-11-28 CN claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 US claimed
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
EP-0066482-B1 METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-28 EP claimed
EP-0066483-B1 METHOD FOR THE PREPARATION OF ALIPHATIC OR AROMATIC NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
EP-0066482-A1 Method for the preparation of aliphatic or aromatic nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP claimed
EP-0066483-A1 Method for the preparation of aliphatic or aromatic nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP claimed