SCHEMBL8787649

SCHEMBL8787649

CNn1c(C)nn(-c2cc(F)c(C#N)cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
DHODH Q02127 4/20 0.31
USP14 P54578 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
KHK P50053 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
SCHEMBL8787038 0.86 DHODH (0.35) TRPV4CHRM2DHODHPDE4APDE4B
SCHEMBL8786897 0.80 TRPV4 (0.33) TRPV4ALDH1A1USP14KDM4E
SCHEMBL9138271 0.80 TRPV4 (0.33) TRPV4ALDH1A1DHODHUSP14KDM4E
SCHEMBL9280355 0.78 DHODH (0.43) TRPV4ALDH1A1DHODHKDM4E
SCHEMBL6495366 0.77 ALDH1A1 (0.35) TRPV4ALDH1A1DHODHUSP14
SCHEMBL20108209 0.73 DHODH (0.43) DHODH
SCHEMBL29816521 0.73 DHODH (0.43) DHODH
SCHEMBL6103445 0.73 DHODH (0.42) TRPV4DHODH
SCHEMBL6729831 0.72 EGLN2 (0.39) TRPV4ALDH1A1USP14KDM4EPDE4A
SCHEMBL6506928 0.72 TRPV4 (0.36) TRPV4ALDH1A1USP14KDM4E

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
EP-0617026-B1 Substituted 1-aryltriazolinones BAYER AG (DE) 1997-07-30 EP disclosed
EP-0617026-A1 Substituted 1-aryltriazolinones BAYER AG (DE) 1994-09-28 EP disclosed