SCHEMBL3669882

SCHEMBL3669882

O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.77
ABL1 P00519 2/20 0.53
SRC P12931 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 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
SCHEMBL3670116 0.89 DGAT1 (0.77) DGAT1ABL1SRCMEN1NPC1
SCHEMBL3674889 0.88 DGAT1 (0.76) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL3673344 0.88 DGAT1 (0.76) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL603003 0.87 DGAT1 (1.00) DGAT1
SCHEMBL3670233 0.83 DGAT1 (0.77) DGAT1
SCHEMBL3669152 0.82 DGAT1 (0.57) DGAT1ABL1SRCMEN1NPC1
SCHEMBL3673362 0.82 DGAT1 (0.76) DGAT1ABL1SRCMEN1NPC1
SCHEMBL3665909 0.82 RXFP1 (0.66) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL3674728 0.80 DGAT1 (0.77) DGAT1MEN1NPC1RAB9AKMT2A
SCHEMBL3672639 0.79 DGAT1 (0.78) DGAT1MEN1NPC1RAB9AKMT2A

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