SCHEMBL3672702

SCHEMBL3672702

O=C(Nc1nnc(-c2cccc(Oc3ccccc3)c2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.59
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL602989 0.87 DGAT1 (0.79) DGAT1
SCHEMBL3666190 0.84 DGAT1 (0.57) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3669152 0.84 DGAT1 (0.57) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3668829 0.79 DGAT1 (0.74) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3670069 0.79 DGAT1 (0.72) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL603055 0.78 DGAT1 (0.80) DGAT1NPC1RAB9A
SCHEMBL603056 0.78 DGAT1 (0.80) DGAT1NPC1RAB9A
SCHEMBL3671390 0.78 CSNK2A2 (0.65) DGAT1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3668952 0.78 DGAT1 (0.78) DGAT1RAB9ARXFP1ALDH1A1
SCHEMBL4954631 0.77 NPC1 (0.71) NPC1RAB9AMEN1KMT2ARXFP1

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