SCHEMBL1590727

SCHEMBL1590727

Brc1cccc(-c2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42

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
Bromobenzene SCHEMBL9395084 0.85 ABL1 (0.49) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL1334921 0.84 KCNH2 (0.59) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL9193569 0.83 KCNH2 (0.48) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL1334676 0.83 KCNH2 (0.48) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL28811791 0.82 ABL1 (0.51) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL1464252 0.82
SCHEMBL1310724 0.80 ABL1 (0.60) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL27709556 0.79 CYP3A4 (0.60) KCNH2PRMT6CYP2E1CYP3A4CYP2A6
SCHEMBL17336954 0.77 KDM4E (0.61) MAPTALDH1A1HPGDRAB9AHK1
SCHEMBL31124 0.77 CYP3A4 (0.58) KCNH2PRMT6CYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789579-A Preparation method of ultrafast metal-free solvent-free disulfide bond-containing compound 南京工业大学 2023-09-22 CN claimed
CN-113666854-B Preparation method of symmetrical disulfide bond-containing compound 南京工业大学 2022-04-12 CN claimed
CN-113666854-A Preparation method of symmetrical disulfide bond-containing compound 南京工业大学 2021-11-19 CN claimed
CN-113511997-A Pridopidine analogues, their preparation and use 普丽莱尼亚神经治疗有限公司 2021-10-19 CN claimed
CN-108658916-B Substituent 6, 8-dimercapto-2-phenyl-4H-chromen-4-one derivative and preparation method and application thereof 四川大学 2021-09-24 CN claimed
CN-119620544-A Photosensitive resin composition, dry film, photosensitive dry film, resist film, molded substrate with mold, and method for producing plated molded article 东京应化工业株式会社 2025-03-14 CN disclosed
CN-118829948-A Method for manufacturing plating shaped article 东京应化工业株式会社 2024-10-22 CN disclosed
CN-118742854-A Chemically amplified positive photosensitive composition, method for producing molded substrate with mold, and method for producing plated molded article 东京应化工业株式会社 2024-10-01 CN disclosed
CN-117821997-A Electrochemical preparation method of aromatic aldehyde hydrazone thioether derivative 桂林理工大学 2024-04-05 CN disclosed
CN-117126151-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-28 CN disclosed
CN-117126152-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-28 CN disclosed
CN-117069713-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-17 CN disclosed
WO-1994005669-A1 CATIONIC-2-HETEROARYLPHENYL-CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-03-17 WO disclosed
US-5292879-A Intermediates for preparing cationic-2-heteroaryl-phenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1994-03-08 US disclosed
US-5220011-A Antibiotics effective against resistant grampositive bacteria MERCK & CO., INC. (US) 1993-06-15 US disclosed
EP-0520553-A1 2-Heteroarylphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-12-30 EP disclosed
US-5143914-A 2-heteroarylphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0262870-B1 MORPHOLINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-12 EP disclosed
US-4837236-A CONTROLLING PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
EP-0262870-A2 Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed