SCHEMBL4417658

SCHEMBL4417658

COc1c(NC(C)=O)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccccn3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK14 Q16539 6/20 0.40
SMO Q99835 4/20 0.40
SRC P12931 2/20 0.40
GSK3A P49840 2/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB4 Q15303 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL4416273 0.90 MAPK14 (0.41) MAPTTP53RXFP1MAPK14SMO
SCHEMBL4417279 0.87 MAPT (0.41) MAPTTP53RXFP1MAPK14SMO
SCHEMBL4407832 0.86 MEN1 (0.47) MAPTTP53RXFP1MAPK14SMO
SCHEMBL5487370 0.86 MAPK14 (0.44) MAPK14SMOGSK3AKCNH2
SCHEMBL4410922 0.86 MAPT (0.49) MAPTTP53RXFP1MAPK14SMO
SCHEMBL4408412 0.83 MAPK14 (0.44) MAPTTP53MAPK14SMOSMN1; SMN2
SCHEMBL5496963 0.82 MAPK14 (0.44) MAPTMAPK14SMOSMN1; SMN2KCNH2
SCHEMBL2842154 0.81 MAPK14 (0.45) MAPK14SMOSRCGSK3ASYK
SCHEMBL5486377 0.81 MAPK14 (0.44) MAPK14SMOKCNH2
SCHEMBL14534669 0.81 MAPK14 (0.44) MAPTMAPK14SMOSMN1; SMN2KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed