SCHEMBL13200803

SCHEMBL13200803

COc1ccc(CC(=O)Nc2cc(C(C)(C)C)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.50
RAF1 P04049 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK10 P53779 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR2 P34972 2/20 0.49
LMNA P02545 1/20 0.49
NLRP3 Q96P20 1/20 0.48
MEN1 O00255 2/20 0.47
CACNA1I Q9P0X4 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KLK7 P49862 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 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
SCHEMBL13200489 0.88 CNR2 (0.50) KMT2AKDM4EALDH1A1RAF1CNR2
SCHEMBL1257126 0.85 ALDH1A1 (0.53) KMT2AALDH1A1RAF1HTTSMN1; SMN2
SCHEMBL13200823 0.85 CNR2 (0.53) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL13199941 0.85 MAPK14 (0.65) ALDH1A1L3MBTL1CNR2KLK7MAPK14
SCHEMBL2961183 0.84 MAPK14 (0.47) KMT2AKDM4EALDH1A1HPGDRAF1
SCHEMBL13200487 0.84 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1RAF1SMN1; SMN2
SCHEMBL13234462 0.83 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1RAF1HTT
SCHEMBL13199944 0.83 ALDH1A1 (0.51) KMT2AALDH1A1RAF1SMN1; SMN2CNR2
SCHEMBL13234433 0.80 RAF1 (0.74) KMT2AALDH1A1RAF1SMN1; SMN2MEN1
SCHEMBL13199934 0.79 KDM4E (0.71) KMT2AKDM4EALDH1A1HPGDRAF1

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