SCHEMBL3670116

SCHEMBL3670116

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

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.77
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ABL1 P00519 1/20 0.53
SRC P12931 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL3669882 0.89 DGAT1 (0.77) DGAT1MEN1KMT2AABL1SRC
SCHEMBL3673362 0.88 DGAT1 (0.76) DGAT1MEN1KMT2AABL1SRC
SCHEMBL3673344 0.88 DGAT1 (0.76) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL603578 0.87 DGAT1 (1.00) DGAT1
SCHEMBL3670539 0.83 DGAT1 (0.77) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3674889 0.82 DGAT1 (0.76) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3665909 0.82 RXFP1 (0.66) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3666190 0.82 DGAT1 (0.57) DGAT1MEN1KMT2AABL1SRC
SCHEMBL3674728 0.80 DGAT1 (0.77) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL3672639 0.79 DGAT1 (0.78) DGAT1MEN1KMT2ANPC1RAB9A

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