SCHEMBL3676256

SCHEMBL3676256

O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(OC2CC[CH]CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.80
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
RXFP1 Q9HBX9 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.52
SRC P12931 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 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
SCHEMBL3669423 0.93 DGAT1 (0.82) DGAT1NPC1RAB9AMEN1KMT2A
Bicarbonate SCHEMBL15656218 0.92 DGAT1 (0.80) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL601024 0.89 DGAT1 (1.00) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL601025 0.89 DGAT1 (1.00) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL603741 0.89 DGAT1 (1.00) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL604572 0.87 DGAT1 (0.79) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL604573 0.87 DGAT1 (0.79) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL3673344 0.87 DGAT1 (0.76) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL603236 0.87 DGAT1 (0.84) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL601585 0.87 DGAT1 (0.84) DGAT1NPC1RAB9AMEN1KMT2A

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