SCHEMBL6588464

SCHEMBL6588464

O=C(O)C=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.59
KCNMA1 Q12791 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL6588463 1.00 APP (0.59) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL6588460 1.00 APP (0.59) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL6080575 0.87 APP (0.54) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL6080567 0.87 APP (0.54) APPKCNMA1L3MBTL1TRPV1PKM
SCHEMBL6584481 0.84 MAPK1 (0.50) APPPKMMEN1NPC1RAB9A
SCHEMBL6584488 0.84 MAPK1 (0.50) APPPKMMEN1NPC1RAB9A
SCHEMBL6587311 0.84 ALDH1A1 (0.66) KCNMA1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6587318 0.84 ALDH1A1 (0.66) KCNMA1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6587315 0.84 ALDH1A1 (0.66) KCNMA1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6584485 0.84 MAPK1 (0.50) APPPKMMEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 EP disclosed