SCHEMBL991958

SCHEMBL991958

O=C1OCCCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
TNKS O95271 1/20 0.48
HSD11B1 P28845 1/20 0.45
KDM1A O60341 6/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CMA1 P23946 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL297319 0.88 MEN1 (0.54) MEN1NPC1RAB9AKMT2ATNKS
SCHEMBL27645807 0.86 TNKS (0.52) MEN1NPC1RAB9AKMT2ATNKS
Hydrochloric Acid SCHEMBL30765001 0.86 TNKS (0.52) MEN1NPC1RAB9AKMT2ATNKS
SCHEMBL4414346 0.83 DDB1 (0.43) MEN1NPC1RAB9AKMT2ATNKS
SCHEMBL27365143 0.82 TNKS (0.47) MEN1NPC1RAB9AKMT2ATNKS
Boric Acid SCHEMBL27822670 0.81 TNKS (0.49) MEN1NPC1RAB9AKMT2ATNKS
SCHEMBL29348768 0.81 BCL2 (0.41) MEN1KMT2ATNKSKDM1ACMA1
SCHEMBL8303458 0.81 DGAT1 (0.43) NPC1RAB9ATNKSKDM1ACMA1
SCHEMBL15628295 0.81 TNKS (0.40) TNKSKDM1ACMA1
SCHEMBL5427100 0.81 ALDH1A1 (0.61) TNKSKDM1AKDM4ECMA1

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-0632022-B1 Process for the preparation of amino-substituted thioethers BAYER AG (DE) 1996-12-27 EP claimed
US-5410081-A Process for the preparation of amino-substituted thioethers BAYER AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
EP-0632022-A2 Process for the preparation of amino-substituted thioethers BAYER AG (DE) 1995-01-04 EP claimed
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
EP-2448928-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002910-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed
EP-0712841-B1 Process for the preparation of 3(N-aryl-amino)-propyl-2'-sulfatoethylsulfonyl compounds DYSTAR TEXTILFARBEN GMBH & CO (DE) 1999-01-13 EP disclosed
US-5777111-A DERIVATIVES OF ARYL SUBSTITUTED 1,3-OXAZINES HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5672738-A REACTING AN AROMATIC SUBSTITUTED CYCLIC CARBAMATE WITH 2-MERCAPTETHANOL IN PRESENCE OF A BASIC CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0632022-B1 Process for the preparation of amino-substituted thioethers BAYER AG (DE) 1996-12-27 EP disclosed
EP-0712841-A1 Process for the preparation of 3(N-aryl-amino)-propyl-2'-sulfatoethylsulfonyl compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 EP disclosed
US-5410081-A Process for the preparation of amino-substituted thioethers BAYER AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0632022-A2 Process for the preparation of amino-substituted thioethers BAYER AG (DE) 1995-01-04 EP disclosed