SCHEMBL659064

SCHEMBL659064

CN(C)c1ccc(OB(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
ALOX15 P16050 3/20 0.50
HSD17B10 Q99714 2/20 0.50
SLC2A1 P11166 2/20 0.44
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR2 Q92731 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
HPGD P15428 2/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
APP P05067 5/20 0.40
HBB P68871 1/20 0.40
HDAC1 Q13547 1/20 0.40
GAA P10253 1/20 0.39

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 SCHEMBL29005233 0.98 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL29191768 0.90 SLC2A1 (0.44) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL5208344 0.81 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10SLC2A1
SCHEMBL3800806 0.80 CA1 (0.38) TSHRESR2
SCHEMBL1557549 0.78 SMN1; SMN2 (0.54) ALDH1A1MAPTTP53NPC1RAB9A
Trimethylammonium SCHEMBL6458241 0.77 ACHE (0.42) ALDH1A1TSHRMAPTCYP3A4TDP1
SCHEMBL17421190 0.77 CA2 (0.41) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL6340980 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL28600111 0.77 CA1 (0.52) SLC2A1MAPTTP53NPC1RAB9A
SCHEMBL30693570 0.75 ALDH1A1 (0.48) ALDH1A1TSHRAPPHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119764360-A Graphite composite material, preparation method thereof, negative electrode and battery 惠州比亚迪电池有限公司 2025-04-04 CN claimed
CN-116854660-A Water-soluble organic fluorescent molecule, preparation method thereof and application thereof in fingerprint detection 南京工业大学 2023-10-10 CN claimed
CN-114436892-B Abeta-responsive light-activated fluorescent probe and preparation method and application thereof 中国药科大学 2023-05-23 CN claimed
CN-105358611-B The method for manufacturing non-roasting type electrode E.I.内穆尔杜邦公司 2018-07-17 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-119764360-A Graphite composite material, preparation method thereof, negative electrode and battery 惠州比亚迪电池有限公司 2025-04-04 CN disclosed
CN-119410145-A Organic association molecule/polyetherimide energy storage composite medium film and preparation method and application thereof 哈尔滨理工大学 2025-02-11 CN disclosed
CN-116162087-B HPK 1 and/or LCK kinase regulator, preparation method and application thereof 杭州医学院 2024-07-23 CN disclosed
CN-116162087-A HPK 1 and/or LCK kinase regulator, preparation method and application thereof 杭州医学院 2023-05-26 CN disclosed
CN-114436892-B Abeta-responsive light-activated fluorescent probe and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
WO-2021012717-A1 ANTITUMOR COMPOUND USED AS AXL INHIBITOR AND USE THEREOF 南京华威医药科技集团有限公司 2021-01-28 WO disclosed
CN-111670183-A Novel heterocyclic compounds as CDK8/19 inhibitors BIOCAD股份公司 2020-09-15 CN disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
CN-1265591-A Coumpound ZENECA LTD (GB) 2000-09-06 CN disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
US-5607803-A Decolorizable toner and a decolorizable toner production process SHOWA DENKO K.K. (JP) 1997-03-04 US disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed