SCHEMBL689665

SCHEMBL689665

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MAPK14 Q16539 2/20 0.38
SRC P12931 1/20 0.37
SYK P43405 1/20 0.37
GSK3A P49840 1/20 0.37
IKBKB O14920 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MAPK10 P53779 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ELANE P08246 1/20 0.34
CD69 Q07108 1/20 0.34
HTR2A P28223 1/20 0.34

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 0.85 RARG (0.41) MAPTGSK3AIKBKBKMT2AMEN1
SCHEMBL5110866 0.84 CYP2C19 (0.50) IKBKBKMT2AMEN1RARGRXRA
SCHEMBL5117060 0.84 MEN1 (0.37) KMT2AMEN1RARGRXRAPPARG
SCHEMBL688392 0.83 MAPK14 (0.38) MAPK14SRCSYKGSK3AIKBKB
SCHEMBL689738 0.82 PKM (0.41) MAPTKMT2AMEN1RARGRXRA
SCHEMBL689659 0.82 RARG (0.35) MAPTMAPK14SRCSYKGSK3A
SCHEMBL5118350 0.80 POLB (0.42) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL1404705 0.80 RARG (0.38) MAPTGSK3AIKBKBKMT2AMEN1
SCHEMBL5118633 0.79 BCHE (0.39) RARGRXRAPPARGHTTELANE
SCHEMBL690355 0.78 GAA (0.40) MAPTKMT2AMEN1POLBKDM4E

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