SCHEMBL2218563

SCHEMBL2218563

[c]1cccc(C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
DPP4 P27487 2/20 0.35
TSHR P16473 2/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL8354267 0.88 CYP19A1 (0.44) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
Water SCHEMBL10631653 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL9586018 0.77 SMN1; SMN2 (0.44) TRPA1TSHRLMNAMAPK1KMT2A
SCHEMBL3151286 0.77 KMT2A (0.36) TRPA1CYP2D6LMNAKMT2AATM
SCHEMBL3840843 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL10839213 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CFTRGOPC
Water SCHEMBL28304858 0.76 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL8730312 0.76 SRC (0.58) HDAC1HDAC8HDAC6CYP2D6SRC
SCHEMBL27907795 0.76 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL144 0.76 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102477057-B Thio-nicotinamide adenine dinucleotide, intermediates thereof and preparation methods of thio-nicotinamide adenine dinucleotide and intermediates RES DEV CT OF BEIJING LEADMAN BIOCHEMICAL CO LTD 2014-04-23 CN claimed
CN-102477057-A Thioinamide adenine dinucleotide, intermediate thereof and preparation methods thereof RES DEV CT OF BEIJING LEADMAN BIOCHEMICAL CO LTD 2012-05-30 CN claimed
CN-103694251-B A kind of new process preparing prasugrel hydrochloride 南京简成医药科技有限公司 2018-08-10 CN disclosed
CN-108137596-A 1,2- dihydro -3H- pyrrolo-es [1,2-c] imidazoles -3- ketone antimicrobial compounds being substituted 爱杜西亚药品有限公司 2018-06-08 CN disclosed
CN-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 CN disclosed
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN disclosed
CN-104059173-B A kind of supported late transition metal catalyst for vinyl polymerization 中国石油化工股份有限公司 2016-09-21 CN disclosed
WO-2016144665-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-09-15 WO disclosed
CN-104059180-B A kind of loaded late transition metal catalyst for vinyl polymerization 中国石油化工股份有限公司 2016-08-17 CN disclosed
CN-104059175-B A kind of for the supported late transition metal catalyst of vinyl polymerization, method for making and application 中国石油化工股份有限公司 2016-06-29 CN disclosed
CN-104059180-A Supported transition-metal catalyst used for ethylene polymerization CHINA PETROLEUM & CHEMICAL 2014-09-24 CN disclosed
EP-0772459-A1 TECHNETIUM-99m LABELED IMAGING AGENTS DIATECH, INC. (US) 1997-05-14 EP disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
WO-1996035239-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-11-07 WO disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
CN-1119867-A Cephalosporin derivative YAMANOUCHI PHARMA CO LTD (JP) 1996-04-03 CN disclosed
WO-1995029708-A1 TECHNETIUM-99m LABELED IMAGING AGENTS DIATECH, INC. (US) 1995-11-09 WO disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed
EP-0271192-B1 PURINE HISTAMINE H1 ANTAGONISTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-08 EP disclosed
EP-0271192-A2 Purine histamine H1 antagonists, their preparation and pharmaceutical compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1988-06-15 EP disclosed