SCHEMBL9504495

SCHEMBL9504495

NCCCN.NCCCN.[Cu]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.67
DNM1 Q05193 5/20 0.60
CA12 O43570 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 3/20 0.60
CA6 P23280 3/20 0.60
CA5A P35218 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
CA1 P00915 2/20 0.60
CA3 P07451 2/20 0.60
TSHR P16473 2/20 0.60
LMNA P02545 1/20 0.60
BLM P54132 1/20 0.60
CASP2 P42575 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F13A1 P00488 1/20 0.40

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
SCHEMBL1368870 1.00
Water SCHEMBL2172408 0.94
SCHEMBL16345592 0.94 NFKB1 (0.75) NFKB1DNM1CA12CA2CA4
SCHEMBL8182 0.94
SCHEMBL7267804 0.94 NFKB1 (0.75) NFKB1DNM1CA12CA2CA4
SCHEMBL25350595 0.88
SCHEMBL11042280 0.88
SCHEMBL9699957 0.88
Water SCHEMBL11771535 0.88 NFKB1 (0.67) NFKB1DNM1CA12CA2CA4
Fluoride SCHEMBL21296519 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956321-A1 PROCESS FOR PREPARING AXITINIB, PROCESS FOR PURIFYING THE INTERMEDIATE 2-((3-IODO-1H-INDAZOL-6-YL)THIO)-N-METHYLBENZAMIDE, PROCESS FOR PURIFYING AXITINIB VIA THE AXITINIB HCL SALT, SOLID FORM OF THE AXITINIB HCL SALT Synthon B.V. (NL) 2022-02-23 EP claimed
WO-2020212253-A1 PROCESS FOR PREPARING AXITINIB, PROCESS FOR PURIFYING THE INTERMEDIATE 2-((3-IODO-1H-INDAZOL-6-YL)THIO)-N-METHYLBENZAMIDE, PROCESS FOR PURIFYING AXITINIB VIA THE AXITINIB HCL SALT, SOLID FORM OF THE AXITINIB HCL SALT SYNTHON B.V. (NL) 2020-10-22 WO claimed
US-11986597-B2 Nitric oxide generating systems for inhalation NOTA Laboratories, LLC (US) 2024-05-21 US disclosed
EP-3956321-A1 PROCESS FOR PREPARING AXITINIB, PROCESS FOR PURIFYING THE INTERMEDIATE 2-((3-IODO-1H-INDAZOL-6-YL)THIO)-N-METHYLBENZAMIDE, PROCESS FOR PURIFYING AXITINIB VIA THE AXITINIB HCL SALT, SOLID FORM OF THE AXITINIB HCL SALT Synthon B.V. (NL) 2022-02-23 EP disclosed
US-20210178106-A1 NITRIC OXIDE GENERATING SYSTEMS FOR INHALATION NOTA Laboratories, LLC 2021-06-17 US disclosed
WO-2020212253-A1 PROCESS FOR PREPARING AXITINIB, PROCESS FOR PURIFYING THE INTERMEDIATE 2-((3-IODO-1H-INDAZOL-6-YL)THIO)-N-METHYLBENZAMIDE, PROCESS FOR PURIFYING AXITINIB VIA THE AXITINIB HCL SALT, SOLID FORM OF THE AXITINIB HCL SALT SYNTHON B.V. (NL) 2020-10-22 WO disclosed
CN-105008326-B Highly sensitive (methyl) acrylate and radically curing material 株式会社自动网络技术研究所 2018-09-11 CN disclosed
EP-0293230-B1 ACIDIC GAS SENSORS NEOTRONICS LIMITED (GB) 1993-08-18 EP disclosed
US-5071526-A ACIDIC GAS SENSORS AND METHOD OF USING SAME NEOTRONICS TECHNOLOGY PLC (GB) 1991-12-10 US disclosed
EP-0293230-A2 Acidic gas sensors NEOTRONICS LIMITED (GB) 1988-11-30 EP disclosed