SCHEMBL4194074

SCHEMBL4194074

Cc1nc(NC(=O)Nc2ccc(F)cc2)sc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
KMT2A Q03164 9/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
NPC1 O15118 7/20 0.72
MEN1 O00255 7/20 0.72
HPGD P15428 3/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.54
LCK P06239 1/20 0.54
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
MMP3 P08254 1/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL20378248 0.87 LCK (0.67) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL4191408 0.86 RAB9A (0.73) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL4928409 0.85 NPC1 (0.70) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL4913550 0.84 SMN1; SMN2 (1.00) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL11993581 0.83 MEN1 (0.70) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL30440989 0.83 KMT2A (0.52) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL3595226 0.82 ALOX5 (0.64) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL3578661 0.81 SCD (0.66) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL7143553 0.76 LCK (0.59) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL4350870 0.75 RAB9A (0.59) RAB9AKMT2ASMN1; SMN2NPC1MEN1

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