SCHEMBL8680399

SCHEMBL8680399

C#CCn1c(-c2ccccc2)nc(CC)c(CCO)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PTBP1 P26599 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASR P41180 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
SCHEMBL8678404 0.91 GCGR (0.43) GCGRTLR7KDM4EL3MBTL1CYP1A2
SCHEMBL8678382 0.89 TLR7 (0.43) TLR7KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8678204 0.84 CYP1A2 (0.38) TLR7KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8676900 0.84 L3MBTL1 (0.43) TLR7KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8678115 0.83 TLR7 (0.40) TLR7KDM4EL3MBTL1CYP2C9LMNA
SCHEMBL8678060 0.83 TLR7 (0.42) TLR7KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8679202 0.83 KDM4E (0.39) TLR7KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8677290 0.83 TLR7 (0.43) TLR7KDM4EL3MBTL1CYP1A2CYP2C9
SCHEMBL8678398 0.82 KDM4E (0.44) KDM4EL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8137227 0.81 CYP1A2 (0.43) TLR7KDM4EL3MBTL1CYP1A2CYP2C9

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 3 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
EP-0663396-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-07-19 EP disclosed