SCHEMBL4350870

SCHEMBL4350870

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.59
NPC1 O15118 8/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
PKM P14618 3/20 0.59
TP53 P04637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.49
ALOX5 P09917 2/20 0.48
RXFP1 Q9HBX9 3/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4196168 0.89 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL4190145 0.85 KMT2A (0.59) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL3585640 0.85 RAB9A (0.81) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL774807 0.84 LCK (0.64) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL3579989 0.84 SCD (0.64) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL3595226 0.82 ALOX5 (0.64) RAB9ANPC1SMN1; SMN2PKMHTT
SCHEMBL27707040 0.82 NPC1 (0.46) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL3581996 0.80 KDM4E (0.67) RAB9ANPC1SMN1; SMN2PKMALOX15
SCHEMBL4187299 0.79 NPC1 (0.56) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL4194373 0.78 DHODH (0.58) RAB9ANPC1SMN1; SMN2PKMTP53

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