SCHEMBL13200000

SCHEMBL13200000

CCOc1ccc(NC(=O)Cc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.52
FLT3 P36888 1/20 0.51
HSD17B10 Q99714 1/20 0.50
RAF1 P04049 4/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL13200526 0.85 RAF1 (0.67) NPC1RAB9AFLT3RAF1MAPK13
SCHEMBL13199998 0.85 FLT3 (0.48) MAPTSMN1; SMN2NPC1RAB9AFLT3
SCHEMBL13199940 0.84 FLT3 (0.65) MAPTNPC1RAB9AFLT3RAF1
SCHEMBL13200008 0.84 FLT3 (0.46) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13199994 0.83 FLT3 (0.47) SMN1; SMN2NPC1RAB9AFLT3RAF1
SCHEMBL13199938 0.83 FLT3 (0.55) MAPTSMN1; SMN2NPC1RAB9AFLT3
SCHEMBL13200014 0.82 FLT3 (0.53) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL13200627 0.82 FLT3 (0.48) MAPTSMN1; SMN2NPC1RAB9AFLT3
SCHEMBL13234576 0.81 RAB9A (0.72) MAPTSMN1; SMN2NPC1RAB9AFLT3
SCHEMBL13199947 0.81 FLT3 (0.53) SMN1; SMN2NPC1RAB9AHPGDFLT3

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