SCHEMBL8677229

SCHEMBL8677229

C#CCn1c(-c2cc[n+]([O-])cc2)nc(C(F)(F)F)c(CC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL8678688 0.86 KDM5B (0.40) KDM5B
SCHEMBL8680407 0.80 KDM5A (0.41) KDM5B
SCHEMBL8677200 0.76 KDM5B (0.36) KDM5B
SCHEMBL8679119 0.76 TLR7 (0.40)
SCHEMBL8678081 0.75 TLR7 (0.40)
SCHEMBL8678941 0.75 TLR7 (0.38)
SCHEMBL8677070 0.73 KDM5B (0.39) KDM5B
SCHEMBL8681283 0.71 ALDH1A1 (0.38) KDM5B
SCHEMBL8678382 0.69 TLR7 (0.43)
SCHEMBL8676758 0.69 CYP1A2 (0.46) KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
EP-0579424-B1 2-substituted pyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-23 EP disclosed
EP-0696588-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-02-14 EP disclosed
US-5453414-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-09-26 US disclosed
EP-0663396-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-07-19 EP disclosed
US-5300477-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
CN-1084165-A 2-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-03-23 CN disclosed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed