SCHEMBL4201209

SCHEMBL4201209

Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
LMNA P02545 2/20 0.54
GAA P10253 3/20 0.53
HTT P42858 1/20 0.53
PKM P14618 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
LCK P06239 1/20 0.53
KDM4E B2RXH2 3/20 0.53
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 1/20 0.52
MAPT P10636 1/20 0.52
P2RX1 P51575 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL4199061 0.87 NPC1 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3577640 0.85 SCD (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL774334 0.85 LCK (0.73) RAB9ANPC1SMN1; SMN2LCK
SCHEMBL27706969 0.85 HDAC3 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3581996 0.84 KDM4E (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3581515 0.84 RAB9A (0.81) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4899528 0.84 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4187271 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3582729 0.82 NPC1 (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4200739 0.82 MEN1 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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