SCHEMBL5260135

SCHEMBL5260135

O=C(c1cccnc1)N(CF)Cc1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
PDK1 Q15118 2/20 0.43
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
GLP1R P43220 1/20 0.40
GCGR P47871 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL4737107 0.79 GAA (0.58) TSHRGAAPDK1HTTKMT2A
SCHEMBL4739768 0.77 GAA (0.55) TSHRGAAPDK1HTTHDAC11
SCHEMBL4737580 0.76 AGER (0.51) TSHRGAAMAPTNPSR1ALDH1A1
Niacin SCHEMBL27587360 0.73 ALDH1A1 (0.58) TSHRGAAMAPTKDM4ECYP2A6
SCHEMBL4738946 0.72 ALDH1A1 (0.43) TSHRGAAPDK1MAPTGCGR
SCHEMBL18228607 0.70 NAPRT (0.55) GAAMAPTHDAC1HDAC6CYP2A6
SCHEMBL5258994 0.69 PLOD2 (0.40) TSHRGAAHTTKDM4EALDH1A1
SCHEMBL24069261 0.68 GAA (0.50) TSHRGAAKDM4ENPSR1ALDH1A1
SCHEMBL24069158 0.68 PKM (0.55) TSHRMAPTHTTKDM4ENPSR1
SCHEMBL30209753 0.68 PKM (0.55) TSHRMAPTHTTKDM4ENPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP claimed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO claimed
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP disclosed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO disclosed