SCHEMBL690666

SCHEMBL690666

COc1c(NSC)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.37
MAPK14 Q16539 7/20 0.36
SRC P12931 4/20 0.36
SYK P43405 4/20 0.36
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 3/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK10 P53779 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
IKBKB O14920 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL690623 0.82 RARG (0.41) GSK3ARARGRXRAPPARGMEN1
SCHEMBL16106403 0.82 GSK3A (0.43) GSK3AMAPK14SRCSYKRARG
SCHEMBL692574 0.82 GSK3A (0.41) GSK3AMAPK14SRCSYKRARG
SCHEMBL689916 0.80 ALDH1A1 (0.44) GSK3AMAPK14SRCSYKMEN1
SCHEMBL690060 0.80 MAPK14 (0.53) MAPK14
SCHEMBL19050453 0.79 MAPK14 (0.41) MAPK14MEN1HTTKMT2AMAPT
Hydrochloric Acid SCHEMBL689965 0.78 MAPK14 (0.52) MAPK14
SCHEMBL690766 0.78 GSK3A (0.36) GSK3AMAPK14SRCSYKRARG
SCHEMBL692947 0.78 HTT (0.42) GSK3AMAPK14SRCSYKMEN1
SCHEMBL15371211 0.78 MEN1 (0.36) MAPK14MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed