SCHEMBL7501598

SCHEMBL7501598

O=[N+]([O-])c1ccc([CH]c2cncc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
APP P05067 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FBP1 P09467 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
AMY1A P0DUB6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 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
SCHEMBL7972129 0.84 ALDH1A1 (0.50) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL14880514 0.79 MAOB (0.58) NPC1MAPTRAB9AAPPALDH1A1
SCHEMBL826834 0.77 ALDH1A1 (0.50) MAPTALDH1A1MAOBLMNAHTT
SCHEMBL439935 0.77 APP (0.64) NPC1MAPTRAB9AAPPALDH1A1
SCHEMBL6798522 0.75 NFE2L2 (0.60) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL6798527 0.75 NFE2L2 (0.60) NPC1MAPTRAB9AALDH1A1MEN1
Ethylene SCHEMBL27728657 0.74 ALDH1A1 (0.47) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL28018804 0.74 MAPT (0.79) NPC1MAPTRAB9AAPPALDH1A1
SCHEMBL8436212 0.74 CYP11B2 (0.39) MAPTMAOBCYP19A1
SCHEMBL7968716 0.74 POLB (0.41) NPC1MAPTRAB9AALDH1A1MEN1

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
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed