SCHEMBL7852029

SCHEMBL7852029

CCCCc1cc(Cl)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 3/20 0.50
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
DHODH Q02127 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
TLR8 Q9NR97 1/20 0.45
CYP1A2 P05177 2/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7039076 0.95 KDM4E (0.49) MEN1KMT2AKDM4EPARP1ALDH1A1
SCHEMBL29219463 0.94 KCNH2 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29219484 0.94 KCNH2 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29219432 0.94 KCNH2 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29219388 0.94 KCNH2 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL14128989 0.90 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL9179529 0.83 MEN1 (0.53) MEN1KMT2AKDM4EPARP1ALDH1A1
SCHEMBL9315070 0.83 MAOA (0.45) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL8671753 0.82 CYP1A2 (0.53) MEN1KMT2AKDM4EPARP1ALDH1A1
SCHEMBL8673292 0.82 KDM4E (0.55) MEN1KMT2AKDM4EPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN disclosed
EP-0498723-B1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
US-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed
CN-1063869-A New nitrogenous bicyclic derivatives, its preparation method, the new intermediate that obtains thus, its pharmaceutical use and the pharmaceutical composition that contains this class material ROUSSEL UCLAF (FR) 1992-08-26 CN disclosed
EP-0498723-A1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed