SCHEMBL13199974

SCHEMBL13199974

COc1ccc(CCC(=O)Nc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.60
TSHR P16473 2/20 0.58
EGFR P00533 1/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
ALPL P05186 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
KLK7 P49862 1/20 0.49
POLB P06746 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
SCHEMBL13199934 0.88 KDM4E (0.71) RAF1EGFRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2944830 0.81 RAF1 (0.66) RAF1SMN1; SMN2MEN1NPC1MAPT
SCHEMBL13234650 0.79 RAF1 (0.60) RAF1EGFRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3550019 0.79 RAF1 (0.71) RAF1
SCHEMBL13200602 0.79 FLT3 (0.77) RAF1EGFRMEN1NPC1MAPT
SCHEMBL13199988 0.78 RET (0.62) RAF1EGFRKDM4EALDH1A1MEN1
SCHEMBL3184301 0.78 EGFR (0.54) RAF1EGFRKDM4ESMN1; SMN2MEN1
SCHEMBL13234432 0.78 RAF1 (0.93) RAF1MEN1NPC1RAB9AKMT2A
SCHEMBL4104287 0.76 EGFR (0.70) RAF1TSHREGFRSMN1; SMN2MEN1
SCHEMBL13234777 0.76 FLT3 (0.80) RAF1MEN1NPC1RAB9AKMT2A

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