SCHEMBL7653141

SCHEMBL7653141

Cn1c(C(F)F)c(Cl)c(=O)n(-c2cc(F)c(C#N)cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TRPV4 Q9HBA0 1/20 0.32
USP14 P54578 1/20 0.32
BCAT2 O15382 2/20 0.31
BCAT1 P54687 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM4 Q14833 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL6103578 0.73 USP14 (0.38) KDM1AALDH1A1TRPV4USP14BCAT2
SCHEMBL7697079 0.71 USP14 (0.37) TRPV4USP14BCAT2BCAT1
SCHEMBL7740917 0.71 BCAT1 (0.45) ALDH1A1TRPV4BCAT2BCAT1
SCHEMBL8193759 0.70 BCAT2 (0.40) TRPV4USP14BCAT2BCAT1
SCHEMBL9469169 0.69 BCAT2 (0.34) USP14BCAT2BCAT1
SCHEMBL8895927 0.68 TRPV4 (0.39) KDM1AALDH1A1TRPV4USP14
SCHEMBL7652708 0.67 TRPV4 (0.38) TRPV4USP14BCAT2BCAT1
SCHEMBL8903852 0.66 TRPV4 (0.37) ALDH1A1TRPV4USP14BCAT2BCAT1
SCHEMBL9468788 0.66 USP14 (0.33) USP14BCAT2BCAT1
SCHEMBL20108199 0.65 DHODH (0.44)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495491-B1 HERBICIDES AND INSECTICIDES; DEFOLIANTS, DESICCANTS, HAULM KILLERS AND ESPECIALLY WEED KILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
EP-0837853-A1 SUBSTITUTED CYANOPHENYL URACILS BAYER AG (DE) 1998-04-29 EP disclosed
WO-1997001541-A1 SUBSTITUTED CYANOPHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed