SCHEMBL5080656

SCHEMBL5080656

COC(=O)c1nccc2c1[nH]c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
GABRP O00591 3/20 0.55
GABRD O14764 3/20 0.55
GABRA1 P14867 3/20 0.55
GABRB1 P18505 3/20 0.55
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA5 P31644 3/20 0.55
GABRA3 P34903 3/20 0.55
GABRA2 P47869 3/20 0.55
GABRB2 P47870 3/20 0.55
GABRA4 P48169 3/20 0.55
GABRE P78334 3/20 0.55
GABRA6 Q16445 3/20 0.55
GABRG1 Q8N1C3 3/20 0.55

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 SCHEMBL27734884 0.99 BCHE (0.54) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL594486 0.85 KDM4E (0.56) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL29927826 0.84 BCHE (0.63) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL4069498 0.84 BCHE (0.63) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL28661144 0.83 BCHE (0.69) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL27633364 0.83 ALDH1A1 (0.57) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL27929500 0.82 BCHE (0.57) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL933660 0.82 BCHE (0.60) BCHEKDM4EMAPTALDH1A1HPGD
Harmic Acid Methyl Ester SCHEMBL25294090 0.81 DYRK1A (0.79) BCHEKDM4EMAPTALDH1A1HPGD
SCHEMBL16798220 0.81 BCHE (0.64) BCHEKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174953-B Novel beta-carboline-oxazoline multifunctional ligand beta1Carox, its preparation and application 南京农业大学 2022-03-29 CN claimed
CN-112174953-A Novel beta-carboline-oxazoline multifunctional ligand beta1Carox, its preparation and application 南京农业大学 2021-01-05 CN claimed
CN-109528718-A A kind of drug and application thereof for treating cervical carcinoma 孙凤永 2019-03-29 CN claimed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-102416014-B Application of alkaloid component composition to preparation of medicament for resisting influenza A H1N1 virus HENAN COLLEGE TRAD CHINESE MED 2012-11-21 CN claimed
CN-102416014-A Application of alkaloid component composition in preparation of anti-influenza A H1N1 medicine HENAN COLLEGE TRAD CHINESE MED 2012-04-18 CN claimed
EP-1613308-A4 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INST MEDICAL RES (US) 2008-02-20 EP claimed
EP-1613308-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER Lankenau Institute for Medical Research (US) 2006-01-11 EP claimed
WO-2004093871-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO claimed
JP-7112918-A None JP disclosed
JP-55055187-A None JP disclosed
CN-119157844-B Preparation method of chitosan-sodium alginate compound containing plant extract 成都天下草生物科技有限公司 2025-03-14 CN disclosed
CN-119064571-B Composition, detection reagent, kit, application and detection method 中国科学院长春应用化学研究所 2025-02-07 CN disclosed
CN-119157844-A Preparation method of chitosan-sodium alginate compound containing plant extract 成都天下草生物科技有限公司 2024-12-20 CN disclosed
WO-2004093871-A1 NOVEL METHODS FOR THE TREATMENT OF CANCER LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 WO disclosed
CN-1471944-A Preparing method and use for Chinese medicine extractive with alpha-glucoside inhibiting activity 上海复旦张江生物医药股份有限公司 2004-02-04 CN disclosed
JP-H07112918-A HAIR GROWING AGENT AND COSMETIC FOR HAIR CONTAINING THE SAME AGENT POLA CHEM IND INC 1995-05-02 JP disclosed
US-4241064-A XANTHINE OXIDASE ENZYME INHIBITORS THEREBY INHIBITING FORMATION OF URIC ACID NIPPON SHINYAKU CO. LTD. (JP) 1980-12-23 US disclosed
JP-S5555187-A INDOLE DERIVATIVE NIPPON SHINYAKU CO LTD 1980-04-22 JP disclosed