SCHEMBL690317

SCHEMBL690317

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
IKBKB O14920 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.89 RARG (0.41) RARGRXRAPPARGL3MBTL1IKBKB
SCHEMBL688542 0.85 RARG (0.36) RARGRXRAPPARGPDE3BPDE3A
SCHEMBL13960086 0.84 RARG (0.37) RARGRXRAPPARGPDE3BPDE3A
SCHEMBL1404705 0.80 RARG (0.38) RARGRXRAPPARGL3MBTL1IKBKB
SCHEMBL13130524 0.79 RARG (0.34) RARGRXRAPPARGPDE3BPDE3A
SCHEMBL690167 0.79 MAPT (0.38) RARGRXRAPPARGL3MBTL1IKBKB
SCHEMBL5110866 0.78 CYP2C19 (0.50) RARGRXRAPPARGIKBKBHTT
SCHEMBL688617 0.77 HPGD (0.44) L3MBTL1MAPTSMN1; SMN2HTTTSHR
SCHEMBL690108 0.77 ALOX5 (0.39) RARGRXRAPPARGTP53MAPT
SCHEMBL689665 0.76 MAPT (0.41) RARGRXRAPPARGL3MBTL1IKBKB

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