SCHEMBL9978889

SCHEMBL9978889

CC(C)(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.58
FLT3 P36888 1/20 0.57
EGFR P00533 1/20 0.55
RET P07949 5/20 0.55
ROCK1 Q13464 1/20 0.55
ALDH1A1 P00352 2/20 0.54
NTRK1 P04629 2/20 0.52
HPGD P15428 2/20 0.51
THRB P10828 1/20 0.51
GAPDH P04406 1/20 0.50
GAA P10253 1/20 0.50
CSF1R P07333 1/20 0.49
KDR P35968 1/20 0.49
KCNH2 Q12809 1/20 0.49
CCDC6 Q16204 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
SCHEMBL13199933 0.84 GAPDH (0.71) NPC1RAB9ASMN1; SMN2FLT3EGFR
SCHEMBL13200780 0.84 FLT3 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9978507 0.83 FLT3 (0.62) NPC1RAB9AFLT3EGFRRET
SCHEMBL1256800 0.83 FLT3 (0.62) NPC1RAB9APOLBFLT3EGFR
SCHEMBL13199962 0.82 RET (0.67) NPC1RAB9AFLT3EGFRRET
SCHEMBL13200383 0.81 RET (0.62) KMT2AMEN1NPC1RAB9AFLT3
SCHEMBL13200522 0.81 FLT3 (0.69) KMT2AMEN1NPC1RAB9AFLT3
SCHEMBL13200570 0.81 FLT3 (0.60) NPC1RAB9AFLT3EGFRRET
SCHEMBL13199934 0.81 KDM4E (0.71) KMT2ASMN1; SMN2FLT3EGFRRET
SCHEMBL2944790 0.81 MAPK14 (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO disclosed
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