SCHEMBL2373575

SCHEMBL2373575

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2cc(OS(=O)(=O)C(F)(F)F)c(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.39
PTGFR P43088 4/20 0.37
TRPV4 Q9HBA0 6/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
DHODH Q02127 2/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CDK2 P24941 2/20 0.36

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
SCHEMBL2372142 0.90 CTSA (0.44) CTSAPTGFRTRPV4LMNATP53
SCHEMBL2372803 0.89 DHODH (0.47) CTSAPTGFRLMNAMAPTDHODH
SCHEMBL2372846 0.87 CTSA (0.41) CTSAPTGFRTRPV4LMNATP53
SCHEMBL2373699 0.86 CTSA (0.44) CTSAPTGFRTRPV4LMNATP53
SCHEMBL2372473 0.86 MALT1 (0.42) CTSAPTGFRTRPV4LMNATP53
SCHEMBL2372631 0.84 TRPV4 (0.39) CTSAPTGFRTRPV4LMNATP53
SCHEMBL2372472 0.83 PLA2G2A (0.51) CTSAPTGFRTRPV4LMNATP53
SCHEMBL2373306 0.83 DHODH (0.51) PTGFRTRPV4DHODHKDM4E
SCHEMBL2373443 0.82 TRPV4 (0.59) TRPV4
SCHEMBL2461674 0.82 PTGFR (0.40) CTSAPTGFRTRPV4

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