SCHEMBL13200022

SCHEMBL13200022

CC(C)(C)c1cc(CC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RAF1 P04049 1/20 0.45
CNR2 P34972 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
SCHEMBL13199938 0.93 FLT3 (0.55) FLT3ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL13200028 0.91 FLT3 (0.51) FLT3ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL13200599 0.90 FLT3 (0.57) FLT3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13200061 0.85 FLT3 (0.61) FLT3ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL13200085 0.84 FLT3 (0.51) FLT3SMN1; SMN2RAF1
SCHEMBL13200035 0.84 FLT3 (0.69) FLT3SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13200573 0.83 FLT3 (0.50) FLT3ALDH1A1MAPK1NPC1RAB9A
SCHEMBL13200027 0.83 FLT3 (0.53) FLT3SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13199940 0.82 FLT3 (0.65) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL13200157 0.81 FLT3 (0.51) FLT3MAPK1

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