SCHEMBL13200878

SCHEMBL13200878

Cc1csc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
MAPK1 P28482 3/20 0.61
APP P05067 1/20 0.58
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK10 P53779 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ELOVL1 Q9BW60 1/20 0.55
SCD O00767 1/20 0.54
WNT3A P56704 2/20 0.53
POLB P06746 2/20 0.52
PRKACA P17612 1/20 0.52
ROCK1 Q13464 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 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
SCHEMBL28268613 0.88 RAB9A (0.75) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2945639 0.84 GBA1 (0.65) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL13200859 0.81 ELOVL1 (0.67) ALDH1A1KMT2AMEN1APPELOVL1
SCHEMBL24804672 0.81 MAPK1 (0.62) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2960671 0.81 SMN1; SMN2 (0.65) RAB9ANPC1ALDH1A1MAPK10SMN1; SMN2
SCHEMBL6176932 0.80 ALOX5 (0.52) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL9366585 0.78 RORC (0.51) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL14757279 0.78 GCK (0.71) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13200871 0.77 CSNK1D (0.77) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL14757204 0.76 NPC1 (1.00) RAB9ANPC1ALDH1A1KMT2AMEN1

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
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed