SCHEMBL6506928

SCHEMBL6506928

Cc1nn(-c2cc(F)c(C#N)cc2F)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
BCAT2 O15382 7/20 0.35
BCAT1 P54687 7/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.32
DAO P14920 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
USP14 P54578 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
SCHEMBL9139297 0.83 BCAT2 (0.40) BCAT2BCAT1ALDH1A1KDM4EHPGD
SCHEMBL9125238 0.83 PGR (0.33) TRPV4BCAT2BCAT1PGRAR
SCHEMBL6494272 0.81 BCAT2 (0.38) TRPV4BCAT2BCAT1PGRALDH1A1
SCHEMBL2526428 0.80 CDK4 (0.38) BCAT2BCAT1PGRARKDM4E
SCHEMBL6174302 0.78 MEN1 (0.39) TRPV4BCAT2BCAT1PGRAR
SCHEMBL5844583 0.75 KDM4E (0.40) TRPV4BCAT2BCAT1AREGLN2
SCHEMBL20267715 0.74 L3MBTL1 (0.41) DAOGLA
SCHEMBL6494499 0.74 KDM4E (0.59) TRPV4ALDH1A1KDM4EGAAUSP14
SCHEMBL5844322 0.72 CYP11B1 (0.39) TRPV4BCAT2BCAT1AREGLN2
SCHEMBL8786897 0.72 TRPV4 (0.33) TRPV4ALDH1A1KDM4EUSP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5378681-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0599135-A1 Substituted triazolinones BAYER AG (DE) 1994-06-01 EP disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP disclosed