SCHEMBL8987819

SCHEMBL8987819

CCc1nccc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.45
MAPK8 P45983 3/20 0.45
MAPK9 P45984 3/20 0.45
ROCK2 O75116 1/20 0.45
CACNA1H O95180 9/20 0.44
RORC P51449 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RIOK2 Q9BVS4 1/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8987762 0.90 OPRM1 (0.43) MAPK10MAPK8MAPK9ROCK2CACNA1H
SCHEMBL8988057 0.87 MAPK10 (0.48) MAPK10MAPK8MAPK9ROCK2CACNA1H
SCHEMBL8987764 0.87 RIOK2 (0.51) MAPK10MAPK8CACNA1HALDH1A1SMN1; SMN2
SCHEMBL8987834 0.86 KMT2A (0.51) MAPK10MAPK8MAPK9RORCALDH1A1
SCHEMBL8987866 0.86 ALDH1A1 (0.46) MAPK10ROCK2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8987813 0.85 ALDH1A1 (0.49) MAPK10MAPK8ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8987826 0.84 CACNA1H (0.48) MAPK10MAPK8MAPK9ROCK2CACNA1H
SCHEMBL8987842 0.83 SMN1; SMN2 (0.56) MAPK10CACNA1HALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8988013 0.83 RIOK2 (0.48) MAPK10MAPK8CACNA1HRORCALDH1A1
SCHEMBL8988041 0.82 POLB (0.57) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed