SCHEMBL13200823

SCHEMBL13200823

CC(C)(C)c1cc(NC(=O)Cc2ccc(F)cc2)on1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK14 Q16539 5/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAPDH P04406 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CACNA1H O95180 1/20 0.45

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
SCHEMBL13199941 0.87 MAPK14 (0.65) CNR2ALDH1A1MAPK14NPC1RAB9A
SCHEMBL1257126 0.87 ALDH1A1 (0.53) CNR2ALDH1A1MAPK14SMN1; SMN2NPC1
SCHEMBL13200803 0.85 KMT2A (0.61) CNR2ALDH1A1MAPK14SMN1; SMN2KDM4E
SCHEMBL13199944 0.85 ALDH1A1 (0.51) CNR2ALDH1A1MAPK14SMN1; SMN2GAPDH
SCHEMBL13200489 0.83 CNR2 (0.50) CNR2ALDH1A1MAPK14GAPDHKDM4E
SCHEMBL1257251 0.82 ALDH1A1 (0.48) CNR2ALDH1A1MAPK14SMN1; SMN2NPC1
SCHEMBL1257388 0.81 RET (0.43) CNR2ALDH1A1MAPK14GAPDH
SCHEMBL1256126 0.80 ALDH1A1 (0.46) CNR2ALDH1A1MAPK14GAPDH
SCHEMBL1256097 0.80 MAPK14 (0.43) CNR2ALDH1A1MAPK14
SCHEMBL1621220 0.80 ALDH1A1 (0.48) CNR2ALDH1A1MAPK14

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