SCHEMBL15926328

SCHEMBL15926328

O=c1cc(CNCOCc2ccc(C(F)(F)F)cc2)[nH]c2c(-c3cccs3)c(C(Cl)(Cl)Cl)nn12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.31
MAPT P10636 1/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL15926318 0.94 MAPK14 (0.32) MAPK14MAPTEP300CREBBPKAT2A
SCHEMBL1614666 0.90 MAPT (0.33) MAPT
SCHEMBL1614735 0.89 PLAT (0.33) MAPK14MAPT
SCHEMBL15909062 0.85 NPC1 (0.38)
SCHEMBL15926361 0.84 HCAR2 (0.35) MAPK14MAPTEP300CREBBPKAT2A
SCHEMBL15926362 0.82 AR (0.37)
SCHEMBL15909005 0.79 HDAC1 (0.40)
SCHEMBL15926314 0.78 KCNQ3 (0.36) MAPT
SCHEMBL1613466 0.78 AR (0.40) MAPT
SCHEMBL1615018 0.77 HCAR2 (0.35) MAPK14MAPT

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
US-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed