SCHEMBL3671454

SCHEMBL3671454

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.69
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3668679 0.84 DGAT1 (0.71) DGAT1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL3670069 0.82 DGAT1 (0.72) DGAT1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL601048 0.82 DGAT1 (1.00) DGAT1
SCHEMBL601049 0.82 DGAT1 (1.00) DGAT1
SCHEMBL3671390 0.81 CSNK2A2 (0.65) DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3679276 0.80 DGAT1 (0.76) DGAT1
SCHEMBL3673344 0.79 DGAT1 (0.76) DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3673736 0.79 DGAT1 (0.74) DGAT1POLBNPC1RAB9A
SCHEMBL3668829 0.79 DGAT1 (0.74) DGAT1POLBNPC1MAPTRAB9A
SCHEMBL3674889 0.78 DGAT1 (0.76) DGAT1POLBNPC1RAB9A

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