SCHEMBL50198

SCHEMBL50198

O=Cc1ccc(-c2ccc(Br)s2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.53
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
APP P05067 1/20 0.45
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PRF1 P14222 1/20 0.37

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
SCHEMBL29097726 0.98 DPP4 (0.52) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL50461 0.98 DPP4 (0.56) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL50975 0.86
SCHEMBL278904 0.86 DPP4 (0.65) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL28825581 0.84
SCHEMBL607254 0.84 DPP4 (0.69) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27944025 0.82 MEN1 (0.42) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL3057650 0.78 SNCA (0.37) DPP4MAPTKDM4EHPGDPOLB
SCHEMBL197157 0.78 SNCA (0.50) MAPTKDM4EHPGDPOLBALDH1A1
SCHEMBL16140264 0.77 DPP4 (0.62) DPP4CYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586245-B DNA fluorescent probe and preparation method and application thereof 云南大学 2024-07-30 CN claimed
CN-117586245-A DNA fluorescent probe and preparation method and application thereof 云南大学 2024-02-23 CN claimed
CN-116903832-A Main chain random quinone polymer capable of being processed by green solvent, preparation and application thereof 贵州大学 2023-10-20 CN claimed
CN-114470202-B AIE-PET bimodal imaging agent and preparation method and application thereof 浙江大学 2023-09-15 CN claimed
CN-114470202-A AIE-PET bimodal imaging agent and preparation method and application thereof 浙江大学 2022-05-13 CN claimed
CN-113980011-B Active oxygen generating agent and application thereof in preparation of photodynamic bactericide 广东省科学院微生物研究所(广东省微生物分析检测中心) 2022-04-05 CN claimed
CN-113980011-A Active oxygen generating agent and application thereof in preparation of photodynamic bactericide 广东省科学院微生物研究所(广东省微生物分析检测中心) 2022-01-28 CN claimed
EP-3747957-A1 FLUORESCENT VINYL TIOPHENE AND BITIOPHENE COUMARINS DYES AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2020-12-09 EP claimed
CN-121574125-A Selenium-containing aggregation-induced emission organic small molecular compound and application thereof in radioactive photodynamic therapy 大连理工大学 2026-02-27 CN disclosed
CN-119912438-A Preparation method and application of near infrared emission fluorescent probe 南开大学 2025-05-02 CN disclosed
CN-118852141-A Metal complex with high active oxygen generation efficiency and preparation method and application thereof 四川大学 2024-10-29 CN disclosed
CN-113195801-B Crystal, method for producing crystal, and method for self-assembling silanol compound 国立研究开发法人产业技术综合研究所 2024-10-15 CN disclosed
CN-117586245-B DNA fluorescent probe and preparation method and application thereof 云南大学 2024-07-30 CN disclosed
CN-117586245-A DNA fluorescent probe and preparation method and application thereof 云南大学 2024-02-23 CN disclosed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
EP-0540673-A4 1994-04-27 EP disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 WO disclosed