SCHEMBL2202099

SCHEMBL2202099

N#Cc1ccc(OB(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
CA2 P00918 3/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
CA1 P00915 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
1,3-Propanediol SCHEMBL29185451 0.89 ENPP2 (0.42) ENPP2CA2CA9CA12CA3
SCHEMBL29210693 0.89 ENPP2 (0.42) ENPP2CA2CA9CA12CA3
SCHEMBL7931137 0.81 CA2 (0.47) ENPP2CA2CA9CA12CA3
SCHEMBL29786757 0.80 S100B (0.44) ENPP2CA2CA9CA12MAPT
SCHEMBL3800806 0.80 CA1 (0.38) ENPP2CA2CA9CA12CA14
SCHEMBL27903441 0.79 ENPP2 (0.45) ENPP2CA2CA9CA12CA3
SCHEMBL31042656 0.77 HDAC8 (0.36) CA2CA9CA12CA14CA1
SCHEMBL31355746 0.77 TTR (0.41) ENPP2CA2CA9CA12CA3
SCHEMBL28229775 0.77 SYK (0.37) MAPTKDM4EMAOBALDH1A1MMP3
SCHEMBL31010840 0.77 PTPN5 (0.47) ENPP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707650-A Functionalized-surface chiral column aromatic hydrocarbon and preparation method and application thereof 宁夏大学 2025-03-28 CN claimed
CN-118772131-A Biaryl compound and preparation method and application thereof 河南大学 2024-10-15 CN claimed
CN-114349729-B Coumarin derivative and preparation method and application thereof 包头稀土研究院 2023-07-18 CN claimed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
CN-119331001-B Efficient narrow-band luminescent material embedded with dibenzothiophene, and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2025-06-10 CN disclosed
CN-120077025-A Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2025-05-30 CN disclosed
CN-119798178-A Novel compound and organic light emitting device using the same 株式会社LG化学 2025-04-11 CN disclosed
CN-119798179-A Novel compound and organic light emitting device using the same 株式会社LG化学 2025-04-11 CN disclosed
CN-119775218-A Compound and organic light emitting device comprising the same 株式会社LG化学 2025-04-08 CN disclosed
CN-119684222-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2025-03-25 CN disclosed
CN-119585337-A Method for preparing epoxy resin composition for material pre-impregnation 澳泽化学特罗斯特贝格有限公司 2025-03-07 CN disclosed
CN-118255684-B CD4 enhancement+Compounds for T cell differentiation into Th9 cells 广州医科大学 2025-03-07 CN disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
US-5565140-A STABILITY, SOLUBILITY, HAVING POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-10-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed
US-5308541-A Electrooptic displays; broad nematic range; high clear point; chemical stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-05-03 US disclosed