SCHEMBL9280355

SCHEMBL9280355

CCCn1c(C)nn(-c2cc(F)c(C#N)cc2F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
CTSK P43235 8/20 0.41
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 2/20 0.33
PGR P06401 2/20 0.33
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL6495366 0.84 ALDH1A1 (0.35) DHODHALDH1A1TRPV4
SCHEMBL20108209 0.79 DHODH (0.43) DHODH
SCHEMBL29816521 0.79 DHODH (0.43) DHODH
SCHEMBL8786897 0.78 TRPV4 (0.33) KDM4EALDH1A1TRPV4
SCHEMBL8787649 0.78 TRPV4 (0.33) DHODHKDM4EALDH1A1TRPV4
SCHEMBL9138271 0.78 TRPV4 (0.33) DHODHKDM4EALDH1A1TRPV4
SCHEMBL9053571 0.77 CTSK (0.41) DHODHCTSKTRPV4
SCHEMBL8787038 0.75 DHODH (0.35) DHODHTRPV4
SCHEMBL7941767 0.74 PGR (0.36) DHODHCTSKALDH1A1PGR
SCHEMBL6103445 0.73 DHODH (0.42) DHODHCTSKTRPV4

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
US-5476946-A Herbicides, and chemical intermediates thereof BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed