SCHEMBL16660713

SCHEMBL16660713

Cc1c(C(=O)Nc2ccnnc2)cnn1C1CCC(C)(C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
LRRK2 Q5S007 5/20 0.38
TRPV4 Q9HBA0 2/20 0.37
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PREP P48147 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16660715 0.87 TRPV4 (0.42) NAMPTLRRK2TRPV4NPC1RAB9A
SCHEMBL16660714 0.84 TRPV4 (0.45) NAMPTLRRK2TRPV4NPC1RAB9A
SCHEMBL16660711 0.83 TRPV4 (0.46) NAMPTLRRK2TRPV4NPC1RAB9A
SCHEMBL16660722 0.79 IKBKE (0.39) NAMPTLRRK2TRPV4NPC1RAB9A
SCHEMBL16660712 0.76 LRRK2 (0.38) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL16660720 0.76 IKBKE (0.37) NAMPTLRRK2TRPV4NPC1RAB9A
SCHEMBL16660710 0.74 IKBKE (0.39) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL16660721 0.74 NAMPT (0.39) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL15474199 0.71 NAMPT (0.41) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL15472433 0.69 NAMPT (0.44) NAMPTLRRK2NPC1RAB9ASMN1; 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
WO-2015055497-A1 SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2015-04-23 WO disclosed