SCHEMBL4199045

SCHEMBL4199045

COc1cccc(C(=O)Nc2nc(C)c(C(=O)O)s2)c1.NC(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
NPC1 O15118 9/20 0.53
RAB9A P51151 8/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SCD O00767 2/20 0.53
DHODH Q02127 1/20 0.53
MAPT P10636 4/20 0.52
CLK1 P49759 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
HPGD P15428 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
KIFC1 Q9BW19 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PPARG P37231 1/20 0.49
HTT P42858 1/20 0.49
NCOA2 Q15596 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
SCHEMBL4193281 0.89 MAPT (0.59) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL3591591 0.89 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL4199074 0.86 MAPT (0.57) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL4195677 0.81 PKM (0.70) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3588056 0.81 NPC1 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4915021 0.81 NPC1 (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4188732 0.80 RAB9A (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4188817 0.80 RXFP1 (0.66) THRBNPC1RAB9AMEN1KMT2A
SCHEMBL4192316 0.78 SMN1; SMN2 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4189293 0.78 PKM (0.76) NPC1RAB9AMEN1KMT2AMAPT

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