SCHEMBL28436682

SCHEMBL28436682

S=C(C(n1ccnc1)n1ccnc1)C(n1ccnc1)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.41
CYP17A1 P05093 5/20 0.36
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
HTR2A P28223 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 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
SCHEMBL30721801 0.76 CYP19A1 (0.41) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL2186124 0.73 CYP19A1 (0.42) CYP19A1CYP17A1MEN1NR1I2USP2
Hydrochloric Acid SCHEMBL28610443 0.73 CYP19A1 (0.42) CYP19A1CYP17A1ALDH1A1CYP26A1
SCHEMBL13404115 0.72 CYP19A1 (0.45) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL3825883 0.72
Thiourea SCHEMBL28499559 0.71 CYP19A1 (0.39) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL2456178 0.71 CYP19A1 (0.48) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL9370000 0.68
SCHEMBL76770 0.68
SCHEMBL27397167 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638097-A Preparation of diaryl thiohydantoin Process for the preparation of ureide compounds 阿拉贡药品公司 2024-09-13 CN claimed
CN-117903117-A Preparation method of KRAS G12C inhibitor divarasib 云南万宏医药科技有限公司 2024-04-19 CN claimed
CN-122036605-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2026-05-15 CN disclosed
CN-115745910-B Chemical compound 安塔比奥公司 2025-05-27 CN disclosed
CN-119212558-A Plant stomata opening regulator 国立大学法人东海国立大学机构 2024-12-27 CN disclosed
CN-118638097-A Preparation of diaryl thiohydantoin Process for the preparation of ureide compounds 阿拉贡药品公司 2024-09-13 CN disclosed
CN-118234717-A Bicyclic heteroaromatic compounds and their use as pest control agents PI工业有限公司 2024-06-21 CN disclosed
CN-115536634-B Synthesis method of apatamide 上海博悦生物科技有限公司 2024-06-11 CN disclosed
CN-107108507-B Process for preparing diaryl thiohydantoin compounds 阿拉贡药品公司 2024-05-28 CN disclosed
CN-117903117-A Preparation method of KRAS G12C inhibitor divarasib 云南万宏医药科技有限公司 2024-04-19 CN disclosed
CN-112409331-B Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed
CN-116162089-A Preparation and use methods of pyrimidinyl antiviral compounds 南京知和医药科技有限公司 2023-05-26 CN disclosed
CN-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 CN disclosed
CN-116003469-A Preparation and use methods of pyrimidinyl antiviral compounds 南京知和医药科技有限公司 2023-04-25 CN disclosed
CN-115996908-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2023-04-21 CN disclosed
CN-115536634-A Synthetic method of apatamide 上海博悦生物科技有限公司 2022-12-30 CN disclosed
CN-110446708-B Chemical compound 安塔比奥公司 2022-12-02 CN disclosed
CN-112996496-A substituted-3H-imidazo [4,5-c ] pyridines and 1H-pyrrolo [2,3-c ] pyridines as novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and interferon gene Stimulator (STING) modulators for cancer immunotherapy 斯汀格瑞治疗股份有限公司 2021-06-18 CN disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
CN-107207444-B Bicyclic compounds 武田药品工业株式会社 2020-07-24 CN disclosed