SCHEMBL7972065

SCHEMBL7972065

Clc1cccc([CH]c2ccc3ccccc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
KDM4E B2RXH2 7/20 0.47
LMNA P02545 6/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ECE2 P0DPD6 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL524926 0.84 RAB9A (0.61) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL30168988 0.74 NCF1 (0.58) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL7252 0.74 NCF1 (0.58) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL14127304 0.74 NCF1 (0.58) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL7369917 0.73 RAB9A (0.69) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL4068608 0.72 NPC1 (0.57) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL7429726 0.72 NCF1 (0.56) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.72 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28744150 0.72 NCF1 (0.56) RAB9ANPC1KDM4ELMNAPKM
Hydrochloric Acid SCHEMBL3651493 0.72 NCF1 (0.56) RAB9ANPC1KDM4ELMNAPKM

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