SCHEMBL2762000

SCHEMBL2762000

NC(=O)C(Cc1ccccc1)c1ccc(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.54
P4HTM Q9NXG6 1/20 0.42
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MME P08473 2/20 0.40
CPA1 P15085 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
HDAC8 Q9BY41 2/20 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
Ammonia Solution, Strong SCHEMBL28826907 0.99 EPHX1 (0.53) EPHX1P4HTMCYP1A2MEN1KMT2A
SCHEMBL17479494 0.88 P4HTM (0.50) EPHX1P4HTMCYP1A2MMECPA1
SCHEMBL17479462 0.87 P4HTM (0.49) EPHX1P4HTMCYP1A2MEN1KMT2A
Lithium SCHEMBL17479466 0.87 P4HTM (0.49) EPHX1P4HTMCYP1A2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27723189 0.85 KMT2A (0.40) EPHX1MEN1KMT2AKDM4EALDH1A1
Lithium Ion SCHEMBL17479463 0.84 ALPL (0.41) EPHX1P4HTMCYP1A2MEN1KMT2A
SCHEMBL17477792 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL17477824 0.81 GPR119 (0.48) P4HTMCYP1A2MEN1KMT2AKDM4E
SCHEMBL30637642 0.79 EPHX1 (0.53) EPHX1P4HTMCYP1A2MEN1KMT2A
SCHEMBL18945036 0.77 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4464700-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-11-20 EP disclosed
WO-2024041628-A1 DIARYL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 武汉人福创新药物研发中心有限公司 2024-02-29 WO disclosed
WO-2023134752-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR 武汉人福创新药物研发中心有限公司 2023-07-20 WO disclosed
WO-2023134753-A1 TUBULIN-SRC DUAL TARGET INHIBITOR 武汉人福创新药物研发中心有限公司 2023-07-20 WO disclosed
WO-2010135429-A2 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2010-11-25 WO disclosed
EP-2155681-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF Kinex Pharmaceuticals, LLC (US) 2010-02-24 EP disclosed
EP-2114934-A1 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-11-11 EP disclosed
EP-2041071-A2 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-04-01 EP disclosed
WO-2008144045-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2008-11-27 WO disclosed
WO-2008127728-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-10-23 WO disclosed
WO-2008082637-A9 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-09-18 WO disclosed
WO-2008082637-A1 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-07-10 WO disclosed
WO-2008002676-A9 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-07-03 WO disclosed
WO-2008002676-A2 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 WO disclosed
EP-1836169-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS Kinex Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071960-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed