SCHEMBL5313166

SCHEMBL5313166

N#Cc1cccnc1-c1[c][nH]nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
LRRK2 Q5S007 2/20 0.36
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRM4 Q14833 1/20 0.33
CYP11B2 P19099 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAP2K1 Q02750 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC2A2 P11168 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4777402 0.80 DPP4 (0.35) CNR2SMN1; SMN2
SCHEMBL31267979 0.73 CNR2 (0.49) CNR2LRRK2ALDH1A1HPGDNPC1
SCHEMBL27711883 0.69 ALDH1A1 (0.47) LRRK2ALDH1A1HPGDNPC1RAB9A
SCHEMBL29530718 0.69
SCHEMBL119023 0.69
SCHEMBL6714817 0.68 DRD2 (0.41) CNR2LRRK2ALDH1A1HPGDNPC1
SCHEMBL30800867 0.68 ALDH1A1 (0.46) LRRK2ALDH1A1HPGDNPC1RAB9A
SCHEMBL3291080 0.67 DPP4 (0.53) CNR2LRRK2ALDH1A1NPC1RAB9A
SCHEMBL8114223 0.67 CYP11B2 (0.43) CNR2LRRK2ALDH1A1HPGDNPC1
SCHEMBL18421482 0.66 CNR2 (0.48) CNR2LRRK2ALDH1A1HPGDNPC1

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-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed