SCHEMBL28807494

SCHEMBL28807494

CNC(=O)N(C1CCCCC1)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.31
ABCC1 P33527 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
GSR P00390 1/20 0.30

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
SCHEMBL31500792 0.76 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1MAPTADH1A
SCHEMBL2875858 0.72 ATM (0.40) KMT2AATMALDH1A1POLBTSHR
SCHEMBL11209209 0.72 TSHR (0.50) KMT2AMEN1ATMALDH1A1TSHR
SCHEMBL9816779 0.71 ATM (0.54) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL965411 0.71 ATM (0.54) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL965799 0.69 ATM (0.51) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL13657553 0.68 ATM (0.37) KMT2AATMALDH1A1POLBTSHR
SCHEMBL968899 0.67 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1TSHRRAB9A
SCHEMBL39462 0.67 ADRA2A (0.40) KMT2AATMALDH1A1POLBTSHR
SCHEMBL27576790 0.67 TSHR (0.41) KMT2AMEN1ATMALDH1A1POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119868249-A Transdermal delivery formulation 阿尔伯特爱因斯坦医学院 2025-04-25 CN disclosed
CN-119630394-A Chelating agents for cancer treatment 普雷高治疗有限公司 2025-03-14 CN disclosed
CN-114761389-B Phospholipid-FLAVAGLINE conjugates and methods for their use in targeted cancer therapy 塞勒科塔生物科学公司 2025-02-07 CN disclosed
CN-117940567-A Antisense compounds that modulate the expression of WFDC2 克迈恩有限公司 2024-04-26 CN disclosed
CN-117337174-A Transdermal pharmaceutical formulation comprising CBD or THC for the treatment of cancer 长矛治疗股份有限公司 2024-01-02 CN disclosed
CN-113151280-B Application of small-molecule non-coding RNA and host gene in diagnosis and treatment of gastric cancer 暨南大学 2023-10-20 CN disclosed
CN-109071671-B ERBB2 targeting antibodies 意大利乔凡尼洛伦齐尼生物化学研究所股份公司 2022-11-04 CN disclosed
CN-105886506-A Antisense modulation of PTP1B expression ISIS制药公司 2016-08-24 CN disclosed
CN-103547588-B Antisense modulation of PTP1B expression ISIS制药公司 2016-06-29 CN disclosed
CN-103597074-A Antisense modulation of fibroblast growth factor receptor 4 expression ISIS PHARMACEUTICALS INC 2014-02-19 CN disclosed
CN-103547588-A Antisense modulation of PTP1B expression ISIS PHARMACEUTICALS INC 2014-01-29 CN disclosed