SCHEMBL2373699

SCHEMBL2373699

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.44
PGK1 P00558 3/20 0.44
RORB Q92753 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
TP53 P04637 1/20 0.39
MAPK14 Q16539 2/20 0.39
TRPV4 Q9HBA0 2/20 0.39
PTGFR P43088 2/20 0.38

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 0.96 CTSA (0.44) CTSAPGK1RORBLMNAMAPT
SCHEMBL2372846 0.89 CTSA (0.41) CTSAPGK1RORBLMNAMAPT
SCHEMBL2373877 0.88 DHODH (0.49) CTSAPGK1RORBLMNAMAPT
SCHEMBL2372473 0.87 MALT1 (0.42) CTSALMNAMAPTKMT2AMRGPRX4
SCHEMBL2372631 0.87 TRPV4 (0.39) CTSARORBLMNAMAPTTP53
SCHEMBL2373575 0.86 CTSA (0.39) CTSALMNAMAPTGAAMRGPRX4
SCHEMBL2373216 0.86 LMNA (0.51) LMNAMAPTTP53TRPV4
SCHEMBL2372472 0.86 PLA2G2A (0.51) CTSALMNAMAPTMEN1ALDH1A1
SCHEMBL2373306 0.86 DHODH (0.51) MEN1ALDH1A1KMT2ATRPV4PTGFR
SCHEMBL2461674 0.84 PTGFR (0.40) CTSARORBTRPV4PTGFR

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