SCHEMBL8680407

SCHEMBL8680407

C#CCn1c(-c2cccnc2)nc(C(F)(F)F)c(CC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
CYP11B2 P19099 2/20 0.40
PTGS2 P35354 2/20 0.39
CYP11B1 P15538 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
POLB P06746 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.88 KDM5B (0.40) KDM5AKDM5BSMN1; SMN2NPSR1
SCHEMBL8677229 0.80 KDM5B (0.37) KDM5B
SCHEMBL8677200 0.78 KDM5B (0.36) KDM5AKDM5B
SCHEMBL8679119 0.78 TLR7 (0.40) KDM5AMEN1KMT2ACYP1A2CYP2C19
SCHEMBL8678941 0.76 TLR7 (0.38) MEN1KMT2ACYP2C19CYP3A4CYP2C9
SCHEMBL8681283 0.72 ALDH1A1 (0.38) KDM5ACYP2C9KDM5B
SCHEMBL8676758 0.71 CYP1A2 (0.46) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL8678115 0.71 TLR7 (0.40) KDM5ACYP2C9KDM5BSMN1; SMN2NPSR1
SCHEMBL8137227 0.70 CYP1A2 (0.43) KDM5ACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL8678693 0.70 TLR7 (0.42) KDM5AMAPTSMN1; SMN2NPSR1

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