SCHEMBL13200602

SCHEMBL13200602

CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)CCc3ccccc3)cc2)no1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.77
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
ROCK1 Q13464 1/20 0.56
RET P07949 6/20 0.54
NTRK1 P04629 1/20 0.52
RAF1 P04049 2/20 0.52

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
SCHEMBL13200555 0.90 FLT3 (0.73) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234777 0.89 FLT3 (0.80) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234705 0.87 FLT3 (1.00) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200418 0.85 FLT3 (0.73) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200037 0.85 FLT3 (0.73) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200522 0.83 FLT3 (0.69) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234708 0.83 FLT3 (0.88) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200580 0.83 FLT3 (0.72) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13234414 0.82 FLT3 (0.79) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL13200435 0.81 FLT3 (0.66) FLT3MEN1NPC1RAB9AKMT2A

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