SCHEMBL9301591

SCHEMBL9301591

N#Cc1ccc(O)c(O)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ESR2 Q92731 3/20 0.38
ESR1 P03372 2/20 0.38
UPP1 Q16831 1/20 0.38
EGFR P00533 2/20 0.36
SNCA P37840 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
PTPN11 Q06124 1/20 0.34
AR P10275 3/20 0.34
PGR P06401 2/20 0.34
TERT O14746 1/20 0.34

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
SCHEMBL4961702 0.85 MEN1 (0.46) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL4958069 0.83 KDM4E (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL15535190 0.81 KDM4E (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL1266875 0.80 MAOA (0.41) ALDH1A1KDM4EMEN1GAAMAPT
Water SCHEMBL9576791 0.80 MAOA (0.41) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL8811100 0.77 ESR1 (0.42) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL152358 0.76 TSHR (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL31399295 0.76 TSHR (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL8996023 0.74 CXCR1 (0.43) MAOAMAOBESR2ESR1UPP1
SCHEMBL29381656 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209757-A Preparation method of high-cyano-density soluble heat-resistant phthalonitrile resin containing branched cyano groups 华东理工大学 2023-12-12 CN claimed
CN-107200824-B A kind of polyurethane aqueous dispersion body and its preparation method and application 华南理工大学 2019-10-18 CN claimed
CN-107474007-B A kind of method preparing 3,6- dihydroxy benzenes dicarboximide 上海再启生物技术有限公司 2019-04-19 CN claimed
CN-107474007-A The method that one kind prepares 3,6 dihydroxy benzenes dicarboximides 上海再启生物技术有限公司 2017-12-15 CN claimed
CN-102351865-A Zinc phthalocyanine derivative and preparation method thereof UNIV FUZHOU 2012-02-15 CN claimed
CN-102250101-A Bis-alpha-quinoline-low molecular polyethylene glycol phthalocyanine zinc and preparation method thereof UNIV FUZHOU 2011-11-23 CN claimed
JP-62184007-A None JP disclosed
JP-2279664-A None JP disclosed
JP-55153759-A None JP disclosed
CN-117209757-A Preparation method of high-cyano-density soluble heat-resistant phthalonitrile resin containing branched cyano groups 华东理工大学 2023-12-12 CN disclosed
CN-117209757-A Preparation method of high-cyano-density soluble heat-resistant phthalonitrile resin containing branched cyano groups 华东理工大学 2023-12-12 CN disclosed
CN-107200824-B A kind of polyurethane aqueous dispersion body and its preparation method and application 华南理工大学 2019-10-18 CN disclosed
CN-107474007-B A kind of method preparing 3,6- dihydroxy benzenes dicarboximide 上海再启生物技术有限公司 2019-04-19 CN disclosed
CN-1634849-A One step synthesis method for 4,6-dihydroxy-1,3-benzene dicarboxylic acid and 2,3-dihydroxy-1,4-benzene dicarboxylic acid UNIV SICHUAN (CN) 2005-07-06 CN disclosed
US-5332905-A Apparatus and method for multiple emission ratio photometry and multiple emission ratio imaging ATTO INSTRUMENTS, INC. (US) 1994-07-26 US disclosed
JP-H02279664-A PRODUCTION OF PHTHALONITRILE COMPOUND MITSUI TOATSU CHEM INC 1990-11-15 JP disclosed
US-4945171-A FLUORESCENT DYES MOLECULAR PROBES, INC. (US) 1990-07-31 US disclosed
JP-S62184007-A RESIN-SEALED SEMICONDUCTOR DEVICE HITACHI LTD 1987-08-12 JP disclosed
US-4659499-A Liquid crystal materials CRYSTALOID ELECTRONICS COMPANY (US) 1987-04-21 US disclosed
JP-S55153759-A PREPARATION OF DICYANODIHYDROXYBENZENE DERIVATIVE UBE IND LTD 1980-11-29 JP disclosed