SCHEMBL4196168

SCHEMBL4196168

Cc1nc(NC(=O)c2cc(Cl)ccc2F)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
PKM P14618 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RXFP1 Q9HBX9 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 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
SCHEMBL4350870 0.89 RAB9A (0.59) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL4194373 0.86 DHODH (0.58) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL3589249 0.84 SCD (0.62) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL3585640 0.84 RAB9A (0.81) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL27727902 0.82 NPC1 (0.46) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL4190145 0.82 KMT2A (0.59) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL4346190 0.81 NPC1 (0.80) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL4200739 0.79 MEN1 (0.69) RAB9ANPC1PKMSMN1; SMN2RXFP1
SCHEMBL4187299 0.76 NPC1 (0.56) RAB9ANPC1PKMSMN1; SMN2HTT
SCHEMBL3584894 0.76 RAB9A (0.80) RAB9ANPC1PKMSMN1; SMN2HTT

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 disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO disclosed