SCHEMBL1937684

SCHEMBL1937684

COc1ncc(F)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.46
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CSF1R P07333 7/20 0.41
SQOR Q9Y6N5 1/20 0.41
POLQ O75417 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
POLB P06746 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK10 P53779 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR6 P46095 1/20 0.38
MAP3K5 Q99683 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
SCHEMBL1881949 0.84 POLB (0.42) POLQPOLBMGLLKDM4EGPR6
SCHEMBL2589049 0.84 POLQ (0.39) POLQMGLLGPR6MAP3K5
SCHEMBL30082715 0.84 POLB (0.42) POLQPOLBMGLLKDM4EGPR6
SCHEMBL1891278 0.83 OPRK1 (0.46) POLQMGLLKDM4EGPR6MAP3K5
SCHEMBL1887386 0.83 GPR6 (0.40) SQORPOLQMGLLGPR6MAP3K5
SCHEMBL29499589 0.82 MKNK1 (0.42) NNMTMKNK1MKNK2
SCHEMBL29499567 0.82 MKNK1 (0.42) NNMTMKNK1MKNK2
SCHEMBL24363781 0.81 NNMT (0.47) NNMTROCK2ROCK1SIRT6MKNK1
SCHEMBL31327199 0.81 NNMT (0.50) NNMTROCK2ROCK1SIRT6MKNK1
SCHEMBL8125788 0.79 NNMT (0.46) NNMTROCK2ROCK1CSF1RSIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed