SCHEMBL2373516

SCHEMBL2373516

COCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(C)c(C(=O)OC)c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
DHODH Q02127 2/20 0.45
PTGFR P43088 10/20 0.44
MALT1 Q9UDY8 1/20 0.43
CTSA P10619 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2372420 0.93 KDM4E (0.46) KDM4EGAADHODHPTGFRCTSA
SCHEMBL2373099 0.91 KDM4E (0.47) KDM4EGAADHODHPTGFRCTSA
SCHEMBL2372473 0.90 MALT1 (0.42) KDM4EPTGFRMALT1CTSAMRGPRX4
SCHEMBL2372979 0.89 DHODH (0.49) KDM4EGAADHODHPTGFRCTSA
SCHEMBL2373877 0.86 DHODH (0.49) KDM4EGAADHODHPTGFRCTSA
SCHEMBL2373420 0.85 KDM4E (0.49) KDM4EGAADHODHPTGFRMRGPRX4
SCHEMBL2373309 0.85 DHODH (0.50) KDM4EGAADHODHPTGFRHTT
SCHEMBL2372803 0.84 DHODH (0.47) KDM4EGAADHODHPTGFRCTSA
SCHEMBL2372522 0.83 DHODH (0.53) KDM4EGAADHODHPTGFRHTT
SCHEMBL2373164 0.82 DHODH (0.56) KDM4EGAADHODHPTGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed