SCHEMBL4416273

SCHEMBL4416273

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
GSK3A P49840 6/20 0.41
SRC P12931 5/20 0.41
SYK P43405 5/20 0.41
LCK P06239 2/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SCARB1 Q8WTV0 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL4417658 0.90 MAPT (0.42) MAPK14GSK3ASRCSYKMAPT
SCHEMBL2842154 0.90 MAPK14 (0.45) MAPK14GSK3ASRCSYKLCK
SCHEMBL4417851 0.88 MAPK14 (0.44) MAPK14GSK3ASRCSYKLCK
SCHEMBL5490019 0.88 RAB9A (0.42) MAPK14GSK3AMAPTTRPV1
SCHEMBL4416963 0.88 MAPK14 (0.44) MAPK14GSK3ASRCSYKLCK
SCHEMBL4408299 0.87 MAPK14 (0.42) MAPK14GSK3ASRCSYKLCK
SCHEMBL4407832 0.86 MEN1 (0.47) MAPK14MAPTTP53TRPV1RXFP1
SCHEMBL4417279 0.85 MAPT (0.41) MAPK14MAPTTP53TRPV1RXFP1
SCHEMBL4410922 0.84 MAPT (0.49) MAPK14MAPTTP53RXFP1SMO
SCHEMBL5487370 0.82 MAPK14 (0.44) MAPK14GSK3ASMO

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 3 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