SCHEMBL3668829

SCHEMBL3668829

COc1ccc(-c2nnc(NC(=O)c3ccc(C4CC[CH]CC4)cc3)s2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.74
CSNK2A2 P19784 1/20 0.67
CSNK2A1 P68400 1/20 0.67
RAB9A P51151 11/20 0.65
NPC1 O15118 10/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
RXFP1 Q9HBX9 1/20 0.65
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 3/20 0.55
HPGD P15428 3/20 0.53
DDX3X O00571 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
XBP1 P17861 1/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 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
SCHEMBL3674728 0.86 DGAT1 (0.77) DGAT1RAB9ANPC1KMT2AMEN1
SCHEMBL3671390 0.86 CSNK2A2 (0.65) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL604092 0.85 DGAT1 (1.00) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL3670069 0.85 DGAT1 (0.72) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL17318637 0.81 CSNK2A2 (0.81) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL17318701 0.80 CSNK2A2 (0.80) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL28791190 0.80 CSNK2A2 (0.80) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL18762167 0.80 CSNK2A2 (0.80) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL28791192 0.80 CSNK2A2 (0.80) DGAT1CSNK2A2CSNK2A1RAB9ANPC1
SCHEMBL3672702 0.79 DGAT1 (0.59) DGAT1CSNK2A2CSNK2A1RAB9ANPC1

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-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP claimed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO claimed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed