SCHEMBL2373336

SCHEMBL2373336

Cc1c(-c2cccc(C(F)(F)F)c2)nc2cc(Cl)c(F)cc2c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 0.62
PTGFR P43088 3/20 0.50
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.47
DHFR P00374 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47

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
SCHEMBL2372522 0.89 DHODH (0.53) DHODHPTGFR
SCHEMBL2372978 0.88 DHODH (0.63) DHODHPTGFRTSHRPDE10ADHFR
SCHEMBL2373114 0.88 DHODH (0.62) DHODHPTGFRTSHRPDE10A
SCHEMBL2373885 0.87 DHODH (0.59) DHODHPTGFRTSHRPDE10A
SCHEMBL2372504 0.86 DHODH (0.69) DHODHPTGFRTSHRPDE10A
SCHEMBL2373118 0.86 DHODH (0.60) DHODHPTGFRTSHRPDE10ADHFR
SCHEMBL2373344 0.86 DHODH (0.82) DHODHPTGFRTSHRPDE10A
SCHEMBL2373037 0.85 DHODH (0.70) DHODHTSHRPDE10A
SCHEMBL2372891 0.85 DHODH (0.59) DHODHPTGFRTSHRPDE10A
SCHEMBL2372739 0.85 DHODH (0.71) DHODHPDE10ADHFRALKBH5

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