SCHEMBL2861674

SCHEMBL2861674

O=C(O)C(Cl)C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.60
GAA P10253 2/20 0.60
HSP90AA1 P07900 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 4/20 0.53
GPR55 Q9Y2T6 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
LMNA P02545 1/20 0.50
MDM2 Q00987 1/20 0.47
TSHR P16473 4/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TP53 P04637 1/20 0.43
TRPA1 O75762 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
SCHEMBL2358014 0.90 ATM (0.64) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL8478316 0.84 ATM (0.58) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL8311827 0.82 ATM (0.56) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL29254343 0.82 ATM (0.56) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL2329814 0.81 ATM (0.55) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL10716596 0.81 ATM (0.55) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL24188 0.80 TDP1 (0.56) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL2238176 0.80 TDP1 (0.56) ATMGAAHSP90AA1NPC1RAB9A
Water SCHEMBL7994044 0.79 ATM (0.53) ATMGAAHSP90AA1NPC1RAB9A
SCHEMBL28238806 0.78 CES2 (0.56) ATMGAAHSP90AA1NPC1RAB9A

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
CN-106995394-B The preparation method of β -one sulfones 齐齐哈尔大学 2018-09-07 CN claimed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
CN-106995394-A The preparation method of β ketone sulfones 齐齐哈尔大学 2017-08-01 CN claimed
CN-106995394-B The preparation method of β -one sulfones 齐齐哈尔大学 2018-09-07 CN disclosed
CN-106995394-A The preparation method of β ketone sulfones 齐齐哈尔大学 2017-08-01 CN disclosed
CN-101239994-B Transition metal complex having diphosphine compound as ligand TAKEDA PHARMACEUTICAL 2015-05-13 CN disclosed
EP-1568701-B1 TRANSITION METAL COMPLEX HAVING DIPHOSPHINE COMPLEX AS LIGAND TAKEDA PHARMACEUTICAL (JP) 2010-01-20 EP disclosed
JP-2006232788-A METHOD FOR PRODUCING OPTICALLY ACTIVE 2-CHLORO-3-HYDROXYL-3,N-DIPHENYL-PROPANOIC ACID AMIDE NIPPON KAYAKU CO LTD 2006-09-07 JP disclosed
EP-1622903-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
EP-1553170-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2005-07-13 EP disclosed
WO-2004094421-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
EP-1418237-A2 Anti-Kazlauskas lipases Bayer Chemicals AG (DE) 2004-05-12 EP disclosed
CN-1042639-C Process for the preparation of low molecular weight copolymers of ethylene and at least one other 1-olefin DSM NV (NL) 1999-03-24 CN disclosed
CN-1125954-A Process for the preparation of low molecular weight copolymers of ethylene and at least one other 1-olefin DSM NV (NL) 1996-07-03 CN disclosed
US-4336389-A 2-Substituted-4-aryl-5-thiazolecarboxylic acids and their derivatives as safening agents MONSANTO COMPANY (US) 1982-06-22 US disclosed