SCHEMBL6473531

SCHEMBL6473531

COC(=O)c1ccc(Cc2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAPK14 Q16539 12/20 0.40
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
STRADA Q7RTN6 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
SCHEMBL6473704 0.91 MAPK14 (0.44) MAPK14POLBTSHRROCK2MAPK12
SCHEMBL6471248 0.91 MAPT (0.43) MAPK14POLBTSHR
SCHEMBL6471190 0.90 MAPK14 (0.45) MAPK14
SCHEMBL6471546 0.88 MAPK14 (0.44) MAPK14POLBTSHRROCK2MAPK12
SCHEMBL6473656 0.87 MAPK14 (0.47) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473278 0.85 MAPK14 (0.42) MAPK14
SCHEMBL6471587 0.83 MAPK14 (0.46) MAPK14
SCHEMBL6472377 0.82 MAPK14 (0.47) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471706 0.81 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471420 0.81 MAPK14 (0.38) MAPK14ROCK2MAPK12MAPK11STRADA

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed