SCHEMBL13199934

SCHEMBL13199934

COc1ccc(CC(=O)Nc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
RAF1 P04049 2/20 0.62
FLT3 P36888 1/20 0.60
EGFR P00533 1/20 0.58
RET P07949 4/20 0.57
ROCK1 Q13464 1/20 0.57
KLK7 P49862 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MAPK10 P53779 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NTRK1 P04629 1/20 0.53
KMT2A Q03164 1/20 0.53
CACNA1H O95180 1/20 0.53
GAPDH P04406 1/20 0.52
HTT P42858 1/20 0.51
HPGD P15428 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
SCHEMBL13199974 0.88 RAF1 (0.60) KDM4ERAF1EGFRKLK7ALDH1A1
SCHEMBL13199988 0.87 RET (0.62) KDM4ERAF1FLT3EGFRRET
SCHEMBL13239632 0.86 RAF1 (0.69) KDM4ERAF1FLT3EGFRRET
SCHEMBL13199933 0.86 GAPDH (0.71) KDM4ERAF1FLT3EGFRRET
SCHEMBL13200780 0.86 FLT3 (0.63) KDM4ERAF1FLT3EGFRRET
SCHEMBL12066000 0.85 FLT3 (0.57) KDM4ERAF1FLT3RET
SCHEMBL9978507 0.85 FLT3 (0.62) RAF1FLT3EGFRRETROCK1
SCHEMBL1256800 0.85 FLT3 (0.62) KDM4ERAF1FLT3EGFRRET
SCHEMBL13200476 0.84 FLT3 (0.65) KDM4ERAF1FLT3EGFRRET
SCHEMBL13199991 0.84 GAPDH (0.58) KDM4EFLT3EGFRRETROCK1

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