SCHEMBL8678948

SCHEMBL8678948

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
PTBP1 P26599 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2B P29275 1/20 0.38
EGFR P00533 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL8678693 0.85 TLR7 (0.42) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8678391 0.84 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8678462 0.82 L3MBTL1 (0.45) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8680418 0.82 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8680372 0.82 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8677290 0.82 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8680415 0.80 TLR7 (0.42) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8680675 0.78 L3MBTL1 (0.41) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL18176612 0.77 ALDH1A1 (0.65) TLR7L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8677269 0.77 CYP1A2 (0.47) SMN1; SMN2ALDH1A1LMNARAB9ANPSR1

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