SCHEMBL13200015

SCHEMBL13200015

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCc3ccc(C(=O)c4ccccc4)cc3)cc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.57
ROCK1 Q13464 1/20 0.52
PPARG P37231 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RET P07949 6/20 0.50
NTRK1 P04629 1/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAF1 P04049 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL13200476 0.93 FLT3 (0.65) FLT3ROCK1RETNTRK1RAB9A
SCHEMBL13234558 0.87 RAF1 (0.66) FLT3RAB9ARAF1MAPK13MAPK12
SCHEMBL13199991 0.87 GAPDH (0.58) FLT3ROCK1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13200018 0.86 FLT3 (0.56) FLT3ROCK1RETNTRK1RAF1
SCHEMBL13200540 0.86 MAPK14 (0.54) FLT3ROCK1ALDH1A1SMN1; SMN2RET
SCHEMBL13200534 0.86 RET (0.53) FLT3ROCK1HTTRETNTRK1
SCHEMBL13200003 0.85 MRGPRX4 (0.54) FLT3ROCK1SMN1; SMN2RETNTRK1
SCHEMBL13234781 0.85 FLT3 (0.81) FLT3RETRAB9ARAF1MAPK13
SCHEMBL13200005 0.84 RET (0.52) FLT3ROCK1RETNTRK1KDM4E
SCHEMBL13200010 0.84 RET (0.52) FLT3ROCK1RETNTRK1KDM4E

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