SCHEMBL989048

SCHEMBL989048

CS(=O)(=O)O.C[N+](C)(CCO)CCO

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.32
DNM1 Q05193 2/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APAF1 O14727 1/20 0.44
GRK2 P25098 1/20 0.44
DNMT1 P26358 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PPP1CA P62136 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.41
PSMD14 O00487 1/20 0.35
PLA2G1B P04054 1/20 0.35

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
SCHEMBL28323008 0.87 BBOX1 (0.43) DNM1POLBL3MBTL1APAF1GRK2
SCHEMBL989047 0.86 POLB (0.47) DNM1POLBL3MBTL1APAF1GRK2
Sulfuric Acid SCHEMBL2913751 0.86 POLB (0.47) DNM1POLBL3MBTL1APAF1GRK2
Sulfuric Acid SCHEMBL2103287 0.83 POLB (0.49) DNM1POLBL3MBTL1APAF1GRK2
Choline SCHEMBL27987657 0.83 LMNA (0.63) POLBL3MBTL1APAF1GRK2DNMT1
SCHEMBL4623735 0.83 DNM1 (0.77) DNM1LMNAKMT2APSMD14PLA2G1B
SCHEMBL3505295 0.82 DNM1 (0.41) DNM1POLBL3MBTL1APAF1GRK2
SCHEMBL187428 0.82
SCHEMBL10415439 0.82 DNM1 (0.60) DNM1POLBL3MBTL1APAF1GRK2
Choline SCHEMBL28318708 0.81 CYP3A4 (0.68) POLBL3MBTL1APAF1GRK2DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893716-B1 NOVEL WORKING MEDIA FOR REFRIGERATION PROCESSES EVONIK DEGUSSA GMBH (DE) 2016-07-13 EP claimed
US-20100095703-A1 Novel Working Media for Refrigeration Processes EVONIK DEGUSSA GMBH (DE) 2010-04-22 US claimed
CN-115667339-B Aqueous polyurethane resin dispersion 爱克发有限公司 2025-02-25 CN disclosed
CN-111372962-A Aqueous polyurethane resin dispersion 爱克发有限公司 2020-07-03 CN disclosed
US-9620257-B2 Composition made of polymers and electrically conductive carbon EVONIK DEGUSSA GMBH (DE) 2017-04-11 US disclosed
US-9524807-B2 Polyamide 12 composition containing carbon nanotubes EVONIK DEGUSSA GMBH (DE) 2016-12-20 US disclosed
US-9418773-B2 Composition of polyamides with low concentration of carboxamide groups and electrically conductive carbon EVONIK DEGUSSA GMBH (DE) 2016-08-16 US disclosed
US-8932478-B2 Process for the absorption of a volatile substance in a liquid absorbent EVONIK DEGUSSA GMBH (DE) 2015-01-13 US disclosed
US-20130299750-A1 COMPOSITION OF POLYAMIDES WITH LOW CONCENTRATION OF CARBOXAMIDE GROUPS AND ELECTRICALLY CONDUCTIVE CARBON EVONIK DEGUSSA GMBH (DE) 2013-11-14 US disclosed
US-20130214211-A1 COMPOSITION MADE OF POLYMERS AND ELECTRICALLY CONDUCTIVE CARBON EVONIK GOLDSCHMIDT GMBH (DE) 2013-08-22 US disclosed
US-20130207050-A1 POLYAMIDE 12 COMPOSITION CONTAINING CARBON NANOTUBES EVONIK DEGUSSA GMBH (DE) 2013-08-15 US disclosed
US-8362095-B2 Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-29 US disclosed
US-20110000236-A1 Process for the Absorption of a Volatile Substance in a Liquid Absorbent EVONIK DEGUSSA GMBH (DE) 2011-01-06 US disclosed
US-20100192814-A1 PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-05 US disclosed
US-20100095703-A1 Novel Working Media for Refrigeration Processes EVONIK DEGUSSA GMBH (DE) 2010-04-22 US disclosed
US-20100084597-A1 DEFOAMING OF IONIC LIQUIDS EVONIK DEGUSSA GMBH (DE) 2010-04-08 US disclosed
US-20100029519-A1 PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES EVONIK DEGUSSA GMBH (DE) 2010-02-04 US disclosed
US-20100016205-A1 USE OF IONIC LIQUIDS AS AN ADDITIVE FOR CLEANING PROCESSES IN LIQUEFIED AND/OR SUPERCRITICAL GAS EVONIK GOLDSCHMIDT GMBH (DE) 2010-01-21 US disclosed