SCHEMBL8678693

SCHEMBL8678693

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
ADORA2B P29275 1/20 0.39
PTBP1 P26599 1/20 0.38
ADORA2A P29274 1/20 0.38
KDM5A P29375 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NPC1 O15118 1/20 0.38

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 0.86 TLR7 (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678948 0.85 TLR7 (0.44) TLR7ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8137227 0.85 CYP1A2 (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8135149 0.85 TLR7 (0.42) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678115 0.82 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8677926 0.82 GCGR (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678688 0.81 KDM5B (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8140303 0.81 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8677009 0.81 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678404 0.80 GCGR (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1

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 13 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
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
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