SCHEMBL6413833

SCHEMBL6413833

N#Cc1ccc(C(=O)C(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.65
CES1 P23141 7/20 0.65
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
ATM Q13315 1/20 0.62
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.54
GSK3B P49841 2/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL3753847 0.91 CA2 (0.67) CES2CES1ALDH1A1KMT2AKDM4E
SCHEMBL3215328 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL198110 0.87 ALDH1A1 (0.54) CES2CES1ALDH1A1KMT2AKDM4E
SCHEMBL1229041 0.84 CA2 (0.59) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL23456757 0.82 TSHR (0.59) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL21783604 0.82 TSHR (0.59) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL21783611 0.82 TSHR (0.59) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL21783558 0.82 TSHR (0.59) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL2336741 0.82 CES2 (0.71) CES2CES1RAB9A
SCHEMBL2179897 0.82 TSHR (0.59) ALDH1A1KMT2AKDM4EPKMATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220463-A1 METHODS OF FORMING AN OBJECT IN A VOLUME OF A PHOTOHARDENABLE COMPOSITION QUADRATIC 3D, INC. (US) 2023-11-16 WO disclosed
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 US disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-6893775-B2 Battery having active material containing neutral carbon radical compound NEC CORPORATION (JP) 2005-05-17 US disclosed
US-20020076610-A1 High-energy density large-capacity stable battery having electrode layer containing cyclic conjugated carbonyl compound forming part of at least one electrode NEC CORPORATION (JP) 2002-06-20 US disclosed
US-20020041996-A1 Battery having active material containing neutral carbon radical compound NEC CORPORATION (JP) 2002-04-11 US disclosed
US-4159262-A POLYIMIDES, POLYBENZIMIDAZOLES, POLYQUINOXALINES, POLYIMIDAZOPYRROLONES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR, NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1979-06-26 US disclosed
US-4061856-A TO 1,3,5-TRIAZINES, SULFONIC, SULFINIC, PHOSPHONIC OR PHOSPHINIC ACID OR METAL ACETYLACETONATE CATALYST THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1977-12-06 US disclosed