SCHEMBL15926318

SCHEMBL15926318

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
GHSR Q92847 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
MAPT P10636 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
ARF6 P62330 1/20 0.30

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
SCHEMBL15926328 0.94 MAPK14 (0.31) MAPK14MAPTEP300CREBBPKAT2A
SCHEMBL1614735 0.91 PLAT (0.33) MAPK14KCNQ3KCNQ2MYCMAX
SCHEMBL1614666 0.91 MAPT (0.33) KCNQ3KCNQ2MYCMAXGHSR
SCHEMBL15926361 0.90 HCAR2 (0.35) MAPK14KCNQ3KCNQ2KDM4EALDH1A1
SCHEMBL15926362 0.87 AR (0.37) KCNQ3KCNQ2GHSRKDM4EALDH1A1
SCHEMBL15909005 0.84 HDAC1 (0.40) KDM4EALDH1A1GAA
SCHEMBL15926314 0.83 KCNQ3 (0.36) KCNQ3KCNQ2GAAMAPTARF6
SCHEMBL15926352 0.81 MAPT (0.36) KCNQ3KCNQ2MAPTARF6
SCHEMBL1615018 0.81 HCAR2 (0.35) MAPK14KCNQ3KCNQ2KDM4EALDH1A1
SCHEMBL1613466 0.80 AR (0.40) GHSRMAPTARF6

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