SCHEMBL3674728

SCHEMBL3674728

COc1ccc(Cc2nnc(NC(=O)c3ccc(C4CC[CH]CC4)cc3)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.77
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
RXFP1 Q9HBX9 1/20 0.63
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL3665909 0.89 RXFP1 (0.66) DGAT1MEN1KMT2ARXFP1NPC1
SCHEMBL3674889 0.87 DGAT1 (0.76) DGAT1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL3673362 0.87 DGAT1 (0.76) DGAT1MEN1KMT2ARXFP1NPC1
SCHEMBL601274 0.87 DGAT1 (1.00) DGAT1
SCHEMBL3673344 0.87 DGAT1 (0.76) DGAT1MEN1KMT2ARXFP1NPC1
SCHEMBL3668829 0.86 DGAT1 (0.74) DGAT1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL12793509 0.81 MEN1 (0.76) DGAT1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL3676256 0.80 DGAT1 (0.80) DGAT1MEN1KMT2ARXFP1NPC1
SCHEMBL3670116 0.80 DGAT1 (0.77) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3669882 0.80 DGAT1 (0.77) DGAT1MEN1KMT2ARXFP1NPC1

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