SCHEMBL7969643

SCHEMBL7969643

Clc1cccc([CH]c2ccncc2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.38
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
GFER P55789 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 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
SCHEMBL7969371 0.80 NPC1 (0.45) NFE2L2CYP3A4MAPTGAARAB9A
SCHEMBL7971708 0.79 AHR (0.41) NFE2L2CYP3A4TSHRALDH1A1
SCHEMBL7969857 0.76 NFE2L2 (0.49) NFE2L2MAPTSMN1; SMN2
SCHEMBL7969202 0.75 NFE2L2 (0.38) NFE2L2CYP3A4TSHRGAARAB9A
SCHEMBL7958651 0.75 NFE2L2 (0.56) NFE2L2CYP3A4TSHRMAPTRAB9A
SCHEMBL7971487 0.75 MAOB (0.35) NFE2L2TSHRMAPTGAAALDH1A1
SCHEMBL7971462 0.74 NFE2L2 (0.39) NFE2L2CYP3A4TSHRMAPTGAA
SCHEMBL7970291 0.73 TP53 (0.44) NFE2L2CYP3A4TSHRMAPTRAB9A
SCHEMBL7972136 0.70 POLB (0.46) CYP3A4MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL7972007 0.69 NFE2L2 (0.54) NFE2L2RAB9ANPC1CYP19A1

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