SCHEMBL3671390

SCHEMBL3671390

O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.65
CSNK2A1 P68400 3/20 0.65
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
KDM4E B2RXH2 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
DGAT1 O75907 9/20 0.59
ABL1 P00519 1/20 0.50
SRC P12931 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3670069 0.88 DGAT1 (0.72) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL3666190 0.87 DGAT1 (0.57) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL3668829 0.86 DGAT1 (0.74) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL3673362 0.85 DGAT1 (0.76) NPC1RAB9ADGAT1ABL1SRC
SCHEMBL604001 0.84 DGAT1 (0.83) DGAT1
SCHEMBL3671454 0.81 DGAT1 (0.69) NPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL3669152 0.81 DGAT1 (0.57) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL17318631 0.78 CSNK2A2 (0.78) CSNK2A2CSNK2A1NPC1RAB9AKDM4E
SCHEMBL3668679 0.78 DGAT1 (0.71) NPC1RAB9AKDM4ESMN1; SMN2DGAT1
SCHEMBL3672702 0.78 DGAT1 (0.59) CSNK2A2CSNK2A1NPC1RAB9AKDM4E

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