SCHEMBL13200435

SCHEMBL13200435

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)Cc3noc4ccccc34)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.66
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
NPC1 O15118 5/20 0.63
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.60
TP53 P04637 1/20 0.59
MAPT P10636 2/20 0.58
ROCK1 Q13464 1/20 0.58
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RET P07949 4/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NTRK1 P04629 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL13234756 0.91 FLT3 (0.70) FLT3RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL13200418 0.81 FLT3 (0.73) FLT3RAB9ANPC1ROCK1RET
SCHEMBL13200602 0.81 FLT3 (0.77) FLT3RAB9ANPC1MAPTROCK1
SCHEMBL13200037 0.80 FLT3 (0.73) FLT3RAB9ASMN1; SMN2NPC1ROCK1
SCHEMBL13234705 0.80 FLT3 (1.00) FLT3RAB9ANPC1RETMEN1
SCHEMBL13234708 0.78 FLT3 (0.88) FLT3RAB9ANPC1ROCK1RET
SCHEMBL13200555 0.78 FLT3 (0.73) FLT3RAB9ANPC1MAPTROCK1
SCHEMBL13200522 0.78 FLT3 (0.69) FLT3RAB9ANPC1ROCK1RET
SCHEMBL13200580 0.78 FLT3 (0.72) FLT3RAB9ANPC1ROCK1RET
SCHEMBL30474858 0.78 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NPC1KDM4ELMNA

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