SCHEMBL4417851

SCHEMBL4417851

COc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GSK3A P49840 5/20 0.38
SRC P12931 5/20 0.37
SYK P43405 5/20 0.37
LCK P06239 2/20 0.37
F10 P00742 1/20 0.37
SCARB1 Q8WTV0 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL5490019 0.92 RAB9A (0.42) MAPK14ALDH1A1MAPTSMN1; SMN2GSK3A
SCHEMBL2843245 0.90 MAPK14 (0.46) MAPK14GSK3ASRCSYKLCK
SCHEMBL4416963 0.89 MAPK14 (0.44) MAPK14ALDH1A1GSK3ASRCSYK
SCHEMBL14534466 0.88 MAPK14 (0.45) MAPK14ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4416273 0.88 MAPK14 (0.41) MAPK14MAPTGSK3ASRCSYK
SCHEMBL4409868 0.87 ALDH1A1 (0.47) MAPK14ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL14534469 0.87 MAPK14 (0.43) MAPK14ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4408299 0.86 MAPK14 (0.42) MAPK14GSK3ASRCSYKLCK
SCHEMBL4565964 0.85 MAPK14 (0.42) MAPK14ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4417785 0.83 MAPK14 (0.43) MAPK14ALDH1A1MAPTSMN1; SMN2HTT

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