SCHEMBL521938

SCHEMBL521938

C[n+]1cc[nH]c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LTB4R Q15722 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
Hydrochloric Acid SCHEMBL1457612 0.98 TAAR1 (0.42) CALM1TAAR1TP53MEN1KMT2A
SCHEMBL31207593 0.93 CALM1 (0.35) CALM1TAAR1TP53MEN1KMT2A
SCHEMBL2453415 0.84 LAP3 (0.35) LTA4H
Hydrochloric Acid SCHEMBL1458257 0.80 TAAR1 (0.42) TAAR1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2858323 0.79 HTR2A (0.39) MEN1KMT2AKCNH2HTR2ADRD3
SCHEMBL4049889 0.76 CALM1 (0.39) CALM1TAAR1MEN1KMT2AHRH3
SCHEMBL30789812 0.73 CALM1 (0.37) CALM1TAAR1TP53MEN1KMT2A
SCHEMBL3403215 0.72 KDM4E (0.43) TAAR1TP53MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3399161 0.71 KDM4E (0.45) TAAR1TP53MEN1KMT2AALDH1A1
SCHEMBL5299591 0.71 KMT2A (0.43) TP53MEN1KMT2AHRH3ALDH1A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427758-B Separation using ionic liquid solvents 切弗朗菲利浦化学公司 2020-11-20 CN claimed
US-9700879-B2 Molecular sieves with a Linde Type A topology and related methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US claimed
WO-2015121357-A1 METHOD FOR HYDROGENATING CARBON DIOXIDE INTO FORMAMIDES BAYER TECHNOLOGY SERVICES GMBH (DE) 2015-08-20 WO claimed
WO-2015121476-A1 METHOD FOR HYDROGENATING CARBON DIOXIDE INTO FORMATE BAYER TECHNOLOGY SERVICES GMBH (DE) 2015-08-20 WO claimed
WO-2014210560-A1 MOLECULAR SIEVES WITH A LINDE TYPE A TOPOLOGY AND RELATED METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-31 WO claimed
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO claimed
EP-4259576-A1 PHOSGENE SYNTHESIS BY CONVERSION OF A GAS MIXTURE CONTAINING CHLORINE AND CARBON MONOXIDE ON AN ORGANIC CATALYST CONTAINING CHLORIDE ANIONS Covestro Deutschland AG (DE) 2023-10-18 EP disclosed
EP-4259577-A1 PROCESS FOR PRODUCING PHOSGENE BY REACTION OF POLYCHLORINE ANIONS AND CARBON MONOXIDE Covestro Deutschland AG (DE) 2023-10-18 EP disclosed
WO-2022128950-A1 PHOSGENE SYNTHESIS BY CONVERSION OF A GAS MIXTURE CONTAINING CHLORINE AND CARBON MONOXIDE ON AN ORGANIC CATALYST CONTAINING CHLORIDE ANIONS COVESTRO DEUTSCHLAND AG (DE) 2022-06-23 WO disclosed
WO-2022128951-A1 PROCESS FOR PRODUCING PHOSGENE BY REACTION OF POLYCHLORINE ANIONS AND CARBON MONOXIDE COVESTRO DEUTSCHLAND AG (DE) 2022-06-23 WO disclosed
EP-3512895-A1 BENZOXAZINE COMPOSITION 3M Innovative Properties Company (US) 2019-07-24 EP disclosed
WO-2018051268-A1 BENZOXAZINE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-22 WO disclosed
EP-2257669-B1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF UNIV ALABAMA (US) 2017-03-22 EP disclosed
WO-2010106072-A2 ELECTROLYTE AND SURFACE-ACTIVE ADDITIVES FOR THE GALVANIC DEPOSITION OF SMOOTH, DENSE ALUMINUM LAYERS FROM IONIC LIQUIDS BASF SE (DE) 2010-09-23 WO disclosed
US-20100227783-A1 Method for reducing friction/wear of formulated lubricating oils by use of ionic liquids as anti-friction/anti-wear additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2010-09-09 US disclosed
WO-2010056790-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-05-20 WO disclosed
WO-2010012717-A1 PRODUCTION OF THIN CATALYST LAYERS BASF SE (DE) 2010-02-04 WO disclosed
WO-2009105236-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-08-27 WO disclosed
WO-2009007440-A2 PROCESS FOR THE ELECTROCHEMICAL PURIFICATION OF ALUMINIUM BASF SE (DE) 2009-01-15 WO disclosed
US-4547405-A WITH A RECEPTOR LAYER OF VINYL ALCOHOL AND VINYL BENZYL AMMONIUM CHLORIDE BLOCK POLYMER POLAROID CORPORATION (US) 1985-10-15 US disclosed