SCHEMBL8677290

SCHEMBL8677290

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PTBP1 P26599 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
ADORA2B P29275 2/20 0.38
ADORA2A P29274 2/20 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
SCHEMBL8680418 0.89 TLR7 (0.43) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8678382 0.88 TLR7 (0.43) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8678090 0.87 TLR7 (0.42) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8678060 0.87 TLR7 (0.42) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8678404 0.85 GCGR (0.43) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8676990 0.85 SMN1; SMN2 (0.41) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8680372 0.84 TLR7 (0.43) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL27429634 0.84 SMN1; SMN2 (0.43) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8680399 0.83 GCGR (0.39) TLR7L3MBTL1LMNASMN1; SMN2PTBP1
SCHEMBL8678426 0.83 TLR7 (0.39) TLR7L3MBTL1LMNASMN1; SMN2PTBP1

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 9 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
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