SCHEMBL6495366

SCHEMBL6495366

C#CCn1c(C)nn(-c2cc(F)c(C#N)cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PPOX P50336 1/20 0.33
DHODH Q02127 3/20 0.32
TRPV4 Q9HBA0 1/20 0.31
USP14 P54578 1/20 0.31
ROCK2 O75116 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
SCHEMBL9280355 0.84 DHODH (0.43) ALDH1A1DHODHTRPV4
SCHEMBL9138271 0.77 TRPV4 (0.33) ALDH1A1DHODHTRPV4USP14
SCHEMBL8786897 0.77 TRPV4 (0.33) ALDH1A1TRPV4USP14
SCHEMBL8787649 0.77 TRPV4 (0.33) ALDH1A1DHODHTRPV4USP14
SCHEMBL8787038 0.74 DHODH (0.35) DHODHTRPV4
SCHEMBL9053571 0.74 CTSK (0.41) DHODHTRPV4
SCHEMBL29816521 0.73 DHODH (0.43) DHODH
SCHEMBL20108209 0.73 DHODH (0.43) DHODH
SCHEMBL7941767 0.71 PGR (0.36) ALDH1A1PPOXDHODH
SCHEMBL6103445 0.70 DHODH (0.42) L3MBTL1DHODHTRPV4

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 15 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
EP-0597360-B1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 2001-10-17 EP disclosed
US-5663362-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0609734-B1 Substituted triazolinones and their use as herbicides BAYER AG (DE) 1997-08-27 EP disclosed
EP-0617026-B1 Substituted 1-aryltriazolinones BAYER AG (DE) 1997-07-30 EP disclosed
EP-0746550-A1 SUBSTITUTED TRIAZOLINONES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1996-12-11 EP disclosed
US-5476946-A Herbicides, and chemical intermediates thereof BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
US-5464810-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
WO-1995022532-A1 SUBSTITUTED TRIAZOLINONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 WO disclosed
US-5378681-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0617026-A1 Substituted 1-aryltriazolinones BAYER AG (DE) 1994-09-28 EP disclosed
EP-0610733-A1 1-Aryltriazolinones and thiones BAYER AG (DE) 1994-08-17 EP disclosed
EP-0609734-A1 Substituted triazolinones and their use as herbicides BAYER AG (DE) 1994-08-10 EP disclosed
EP-0599135-A1 Substituted triazolinones BAYER AG (DE) 1994-06-01 EP disclosed
EP-0597360-A1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 1994-05-18 EP disclosed