SCHEMBL8680372

SCHEMBL8680372

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
PTBP1 P26599 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.38
CASR P41180 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8677290 0.84 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8678948 0.82 TLR7 (0.44) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8678462 0.81 L3MBTL1 (0.45) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8680418 0.81 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8678391 0.80 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8680415 0.79 TLR7 (0.42) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8678060 0.79 TLR7 (0.42) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8678382 0.77 TLR7 (0.43) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8680675 0.77 L3MBTL1 (0.41) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1
SCHEMBL8137227 0.76 CYP1A2 (0.43) TLR7L3MBTL1SMN1; SMN2LMNAPTBP1

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 6 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-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