SCHEMBL8678115

SCHEMBL8678115

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2B P29275 2/20 0.38
ADORA2A P29274 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.37
PTBP1 P26599 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM5A P29375 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
SCHEMBL8678382 0.91 TLR7 (0.43) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8680399 0.83 GCGR (0.39) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8677926 0.83 GCGR (0.43) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8678404 0.83 GCGR (0.43) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8137227 0.82 CYP1A2 (0.43) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8135149 0.82 TLR7 (0.42) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8678693 0.82 TLR7 (0.42) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8677290 0.82 TLR7 (0.43) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8677009 0.82 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8678688 0.82 KDM5B (0.40) TLR7ALDH1A1KDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579424-B1 2-substituted pyrimidines and herbicidal use thereof ROHM & HAAS (US) 1996-10-23 EP claimed
US-5300477-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-04-05 US claimed
CN-1084165-A 2-Arylpyrimidines and weeding thereof are used ROHM & HAAS (US) 1994-03-23 CN claimed
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP claimed
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
EP-0579424-A1 2-substituted pyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1994-01-19 EP disclosed