SCHEMBL16660722

SCHEMBL16660722

COC1CCC(n2ncc(C(=O)Nc3ccnnc3)c2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
LRRK2 Q5S007 9/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL16660712 0.88 LRRK2 (0.38) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL16660714 0.88 TRPV4 (0.45) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL16660711 0.86 TRPV4 (0.46) LRRK2NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660720 0.83 IKBKE (0.37) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL16660710 0.82 IKBKE (0.39) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL16660715 0.82 TRPV4 (0.42) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL16660713 0.79 NAMPT (0.39) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL16660725 0.79 KMT2A (0.35) NPC1RAB9A
SCHEMBL16660721 0.77 NAMPT (0.39) IKBKETBK1LRRK2NAMPTNPC1
SCHEMBL15472433 0.72 NAMPT (0.44) IKBKETBK1LRRK2NAMPTNPC1

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
WO-2015055497-A1 SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2015-04-23 WO disclosed