SCHEMBL16660721

SCHEMBL16660721

Cc1c(C(=O)Nc2ccnnc2)cnn1C1CCCCC1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LRRK2 Q5S007 9/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
IKBKE Q14164 2/20 0.37
TBK1 Q9UHD2 2/20 0.37
NR3C1 P04150 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL16660711 0.85 TRPV4 (0.46) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660714 0.84 TRPV4 (0.45) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660722 0.77 IKBKE (0.39) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660715 0.76 TRPV4 (0.42) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660720 0.76 IKBKE (0.37) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660732 0.76 OXTR (0.38) SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL16660710 0.74 IKBKE (0.39) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660712 0.74 LRRK2 (0.38) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL16660713 0.74 NAMPT (0.39) NAMPTRAB9ANPC1SMN1; SMN2LRRK2
SCHEMBL15472433 0.72 NAMPT (0.44) NAMPTRAB9ANPC1SMN1; SMN2LRRK2

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