SCHEMBL3668679

SCHEMBL3668679

O=C(Nc1nnc(C2CCCC2)s1)c1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.71
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 1/20 0.60
PTGER3 P43115 1/20 0.59
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52

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
SCHEMBL3671454 0.84 DGAT1 (0.69) DGAT1CYP2C9CYP2C19CYP1A2POLB
SCHEMBL603961 0.83 DGAT1 (1.00) DGAT1
SCHEMBL3679276 0.82 DGAT1 (0.76) DGAT1
SCHEMBL3670069 0.79 DGAT1 (0.72) DGAT1CYP2C9CYP2C19CYP1A2POLB
SCHEMBL3671390 0.78 CSNK2A2 (0.65) DGAT1NPC1RAB9AALDH1A1KDM4E
SCHEMBL3673344 0.77 DGAT1 (0.76) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3673736 0.77 DGAT1 (0.74) DGAT1POLBNPC1RAB9ALMNA
SCHEMBL3668829 0.76 DGAT1 (0.74) DGAT1POLBNPC1RAB9AALDH1A1
SCHEMBL15725010 0.75 GLS (0.68) DGAT1CYP2C9CYP2C19CYP1A2POLB
SCHEMBL15725102 0.75 GLS (0.68) DGAT1CYP2C9CYP2C19CYP1A2POLB

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