SCHEMBL8987914

SCHEMBL8987914

CCc1nccc(NC(=O)Cc2ccc(C(C)C)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 11/20 0.48
CACNA1G O43497 4/20 0.48
CACNA1I Q9P0X4 4/20 0.48
RIOK2 Q9BVS4 4/20 0.48
NLRP3 Q96P20 1/20 0.46
GSK3A P49840 3/20 0.44
MAPK10 P53779 3/20 0.44
MAPK8 P45983 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
SNRK Q9NRH2 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 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
SCHEMBL8987844 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8987776 0.82 CACNA1H (0.48) CACNA1HCACNA1GCACNA1IRIOK2NLRP3
SCHEMBL8987928 0.81 TRPV1 (0.54) RIOK2MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL8987884 0.81 RIOK2 (0.72) RIOK2NLRP3GSK3AMAPK10MAPK8
SCHEMBL8987834 0.81 KMT2A (0.51) RIOK2GSK3AMAPK10MAPK8NPC1
SCHEMBL8987842 0.81 SMN1; SMN2 (0.56) CACNA1HCACNA1GCACNA1IRIOK2GSK3A
SCHEMBL8987764 0.80 RIOK2 (0.51) CACNA1HCACNA1GCACNA1IRIOK2GSK3A
SCHEMBL8987881 0.79 SMN1; SMN2 (0.45) CACNA1HCACNA1GCACNA1IRIOK2GSK3A
SCHEMBL8987866 0.79 ALDH1A1 (0.46) RIOK2MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL10082886 0.79 SMN1; SMN2 (0.60) MAPK8NPC1RAB9ASMN1; SMN2

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