SCHEMBL7969371

SCHEMBL7969371

Clc1cccc([CH]c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP11B2 P19099 5/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP11B1 P15538 3/20 0.43
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GRM4 Q14833 1/20 0.40
G6PD P11413 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 4/20 0.39
GRM5 P41594 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7969643 0.80 NFE2L2 (0.38) NPC1RAB9ACYP11B2ALDH1A1MAPT
SCHEMBL7971462 0.77 NFE2L2 (0.39) NPC1RAB9AMAPTGAATDP1
SCHEMBL7969857 0.75 NFE2L2 (0.49) KMT2AMEN1MAPTSMN1; SMN2GRM5
SCHEMBL8911420 0.74 ALDH1A1 (0.62) NPC1RAB9AKMT2AMEN1CYP11B2
SCHEMBL11180576 0.73 NPC1 (0.73) NPC1RAB9AKMT2AMEN1CYP11B2
SCHEMBL7970291 0.72 TP53 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8435518 0.71 CYP1A1 (0.54) CYP11B2ALDH1A1CYP11B1MAPTSMN1; SMN2
SCHEMBL27515192 0.71 MAPT (0.54) NPC1RAB9ACYP11B2ALDH1A1CYP11B1
SCHEMBL7972007 0.69 NFE2L2 (0.54) NPC1RAB9AKMT2AMEN1CYP19A1
SCHEMBL3142532 0.69 CYP11B2 (0.68) NPC1RAB9AKMT2AMEN1CYP11B2

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-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed