SCHEMBL8987776

SCHEMBL8987776

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.48
NLRP3 Q96P20 1/20 0.46
RIOK2 Q9BVS4 1/20 0.46
CACNA1G O43497 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
CACNA1C Q13936 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESRRB O95718 1/20 0.42
ESRRG P62508 1/20 0.42
RET P07949 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL8988013 0.83 RIOK2 (0.48) CACNA1HNLRP3RIOK2SMN1; SMN2
SCHEMBL8987914 0.82 CACNA1H (0.48) CACNA1HNLRP3RIOK2CACNA1GCACNA1I
SCHEMBL8987928 0.81 TRPV1 (0.54) RIOK2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8987842 0.81 SMN1; SMN2 (0.56) CACNA1HRIOK2CACNA1GCACNA1IRAB9A
SCHEMBL8987643 0.80 MAPK10 (0.46) CACNA1HRIOK2CACNA1GCACNA1ICACNA1C
SCHEMBL8987764 0.80 RIOK2 (0.51) CACNA1HRIOK2CACNA1GCACNA1IRAB9A
SCHEMBL8987881 0.79 SMN1; SMN2 (0.45) CACNA1HRIOK2CACNA1GCACNA1ISMN1; SMN2
SCHEMBL8987884 0.79 RIOK2 (0.72) NLRP3RIOK2MEN1KMT2A
SCHEMBL8987834 0.79 KMT2A (0.51) RIOK2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8987866 0.79 ALDH1A1 (0.46) RIOK2RAB9ANPC1SMN1; SMN2MEN1

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