SCHEMBL120641

SCHEMBL120641

N#Cc1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
ALOX5 P09917 1/20 0.44
CYP2A6 P11509 4/20 0.44
ADRB2 P07550 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
BCL2L1 Q07817 1/20 0.42
CA2 P00918 3/20 0.41
APP P05067 2/20 0.40
AGXT P21549 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL29529198 1.00 GRM5 (0.47) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL1996154 0.83 PTPN2 (0.43) GRM5ALOX5CYP2A6ADRB2CA2
SCHEMBL3946050 0.78 GRM5 (0.47) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL56334 0.78 CYP2A6 (0.48) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL3771142 0.78 GRM5 (0.47) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL12884269 0.78 GRM5 (0.60) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL6006529 0.78 GRM5 (0.47) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL6002655 0.78 GRM5 (0.47) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL12884270 0.77 GRM5 (0.58) GRM5ALOX5CYP2A6ADRB2ASIC3
SCHEMBL11429055 0.75 IMPDH2 (0.40) CYP2A6CA2APPCA1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108126656-A For the modified activated carbon absorbent of benzene in Adsorption wastewater from chemical industry 北京益清源环保科技有限公司 2018-06-08 CN claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP claimed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US claimed
US-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US claimed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 US claimed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US claimed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US claimed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed
WO-2026102105-A1 FUNCTIONAL POLYBUTADIENE AND CARBON BLACK IN RUBBER COMPOUNDS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2026-05-15 WO disclosed
CN-117024236-A Preparation method of aromatic nitrile compound 浙江工业大学 2023-11-10 CN disclosed
US-11512148-B2 Composition including multiple terminally functionalized polymers BRIDGESTONE CORPORATION (JP) 2022-11-29 US disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
EP-0572712-A2 Processes for producing 2-substituted benzo(beta)thiophene SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-12-08 EP disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed
US-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 US disclosed