SCHEMBL4196301

SCHEMBL4196301

COc1ccc(C(N)=O)cc1.Cc1nc(NC(=O)c2cccs2)sc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 8/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 4/20 0.55
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 5/20 0.52
ALDH1A1 P00352 5/20 0.52
RXFP1 Q9HBX9 2/20 0.52
LCK P06239 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 1/20 0.51
ABL1 P00519 2/20 0.50
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
APAF1 O14727 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL3584043 0.86 RAB9A (0.81) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL3587162 0.81 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4915021 0.80 NPC1 (0.63) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL4192316 0.80 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4188209 0.78 MAPT (0.70) RAB9ANPC1SMN1; SMN2KDM4ENPSR1
SCHEMBL4199045 0.77 THRB (0.56) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4193281 0.76 MAPT (0.59) RAB9ANPC1SMN1; SMN2HPGDKDM4E
Cyclohexane Carboxamide SCHEMBL4191525 0.75 NPC1 (0.58) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4197928 0.75 NPC1 (0.67) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4199074 0.74 MAPT (0.57) RAB9ANPC1SMN1; SMN2HPGDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO claimed