SCHEMBL3669152

SCHEMBL3669152

O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.57
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ABL1 P00519 2/20 0.47
SRC P12931 2/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
WNT3A P56704 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL13255539 0.89 DGAT1 (0.59) DGAT1HDAC1HDAC2NPC1RAB9A
SCHEMBL3666190 0.88 DGAT1 (0.57) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL603146 0.85 DGAT1 (0.80) DGAT1
SCHEMBL3672702 0.84 DGAT1 (0.59) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL602048 0.84 DGAT1 (0.56) DGAT1HDAC1HDAC2NPC1RAB9A
SCHEMBL602049 0.84 DGAT1 (0.56) DGAT1HDAC1HDAC2NPC1RAB9A
SCHEMBL10240275 0.84 DGAT1 (0.56) DGAT1HDAC1HDAC2NPC1RAB9A
SCHEMBL3669882 0.82 DGAT1 (0.77) DGAT1NPC1RAB9AABL1SRC
SCHEMBL3669325 0.82 DGAT1 (0.52) DGAT1HDAC1HDAC2NPC1RAB9A
SCHEMBL3670069 0.82 DGAT1 (0.72) DGAT1NPC1RAB9AKDM4ESMN1; SMN2

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