SCHEMBL746493

SCHEMBL746493

COc1ccnc(OC)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.44
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
PRKDC P78527 1/20 0.36
FDPS P14324 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
IKBKB O14920 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL29954802 0.81 ERN1 (0.37) ERN1ALDH1A1
SCHEMBL746942 0.81 NFE2L2 (0.41) ERN1ALDH1A1TSHRPRKDCL3MBTL1
SCHEMBL28154686 0.81 ERN1 (0.41) ERN1ALDH1A1TSHRPRKDCFDPS
SCHEMBL441518 0.81 ERN1 (0.37) ERN1ALDH1A1
SCHEMBL25230147 0.79 ERN1 (0.36) ERN1ALDH1A1KDM4E
SCHEMBL31563047 0.79 ERN1 (0.36) ERN1ALDH1A1
SCHEMBL438652 0.79 NFE2L2 (0.42) ERN1ALDH1A1TDP1
SCHEMBL15335119 0.79 ERN1 (0.40) ERN1ALDH1A1TSHRPRKDCFDPS
SCHEMBL16333419 0.79 AURKA (0.40) ERN1ALDH1A1IKBKBMAPK1
SCHEMBL772591 0.79 ERN1 (0.46) ERN1ALDH1A1PRKDCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032782-A1 VACCINE ADJUVANTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO.LTD. (CN) 2024-02-15 WO disclosed
EP-4313962-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021233800-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 WO disclosed
EP-3697763-A1 D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF Syneurx International (Taiwan) Corp. (TW) 2020-08-26 EP disclosed
WO-2019076329-A9 D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF TSAI GUOCHUAN EMIL (CN) 2019-08-15 WO disclosed
WO-2019076329-A1 D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF TSAI GUOCHUAN EMIL (CN) 2019-04-25 WO disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
CN-101277939-A Acyclic ikur inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-10-01 CN disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
CN-1109050-A Catecholamine surrogates useful as beta3 agonists BRISTOL MYERS SQUIBB CO (US) 1995-09-27 CN disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed