SCHEMBL7972246

SCHEMBL7972246

Clc1c[c]c(-c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
JAK2 O60674 1/20 0.37
SCN2A Q99250 2/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAP4K4 O95819 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL21295843 0.79 RAB9A (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7972200 0.77 KIF11 (0.40) SCN2ANFKB1
SCHEMBL16720559 0.76 MMP3 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4611497 0.76 PSMB5 (0.39) CYP1A2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7972131 0.76 SCN2A (0.44) CYP1A2SCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL7969223 0.73 SCN10A (0.39) SCN2AGRIN1GRIN2B
SCHEMBL13364715 0.67 NPC1 (0.65) CYP1A2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL193034 0.66
SCHEMBL1979074 0.66 PLAU (0.43) CYP1A2RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL1202054 0.64 NOTUM (0.37) CYP1A2NPC1RAB9ASMN1; SMN2NFKB1

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