SCHEMBL8678941

SCHEMBL8678941

C#CCn1c(-c2ccccc2)nc(C(F)(F)F)c(COC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
CASR P41180 1/20 0.35
HPGD P15428 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGER4 P35408 1/20 0.34

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 0.87 KDM5B (0.40) TLR7L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL8679119 0.86 TLR7 (0.40) TLR7L3MBTL1ALDH1A1NPSR1MEN1
SCHEMBL8678081 0.85 TLR7 (0.40) TLR7L3MBTL1ALDH1A1NPSR1MEN1
SCHEMBL8676871 0.78 L3MBTL1 (0.41) TLR7L3MBTL1ALDH1A1NPSR1MEN1
SCHEMBL8680407 0.76 KDM5A (0.41) NPSR1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8677229 0.75 KDM5B (0.37)
SCHEMBL8677187 0.75 TLR7 (0.37) TLR7L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL8677070 0.74 KDM5B (0.39) ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL8681283 0.74 ALDH1A1 (0.38) L3MBTL1ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL8127133 0.73 NPSR1 (0.37) TLR7L3MBTL1ALDH1A1KDM4EHSD17B10

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 4 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
CN-1109879-A 2-arylpyrimidines and herbicidal use thereof ROHM & HAAS (US) 1995-10-11 CN 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