SCHEMBL8987716

SCHEMBL8987716

Cc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RIOK2 Q9BVS4 5/20 0.47
CACNA1I Q9P0X4 4/20 0.46
CACNA1G O43497 3/20 0.46
CACNA1H O95180 3/20 0.46
CNR2 P34972 1/20 0.46
KCNH2 Q12809 1/20 0.46
SORT1 Q99523 2/20 0.46
GSK3A P49840 2/20 0.44
MAPK8 P45983 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
SNRK Q9NRH2 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
WNT3A P56704 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL8987643 0.86 MAPK10 (0.46) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987787 0.86 RIOK2 (0.50) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8988094 0.86 MAPK10 (0.46) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987961 0.85 MAPK10 (0.45) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987778 0.85 CACNA1H (0.51) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987985 0.84 MAPK10 (0.47) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8988044 0.84 MAPK10 (0.44) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987786 0.83 CACNA1I (0.50) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987736 0.83 SMN1; SMN2 (0.44) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987912 0.82 RIOK2 (0.49) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2

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