SCHEMBL15083519

SCHEMBL15083519

[N-]=[N+]=Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PLAU P00749 1/20 0.40
▸ PRSS1 P07477 3/20 0.39
▸ TPSAB1 Q15661 3/20 0.39
▸ CYP51A1 Q16850 2/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36
▸ TPSG1 Q9NRR2 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ SLC6A3 Q01959 2/20 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
SCHEMBL13449655 0.83 ALDH1A1 (0.53) CA1CA2CA5ACA9CA5B
SCHEMBL23157115 0.83 TP53 (0.42) CA1CA2CA5ACA9CA5B
SCHEMBL16674090 0.83 ALDH1A1 (0.53) CA1CA2CA5ACA9CA5B
SCHEMBL28883487 0.81 HDAC1 (0.46) LMNASLC6A3
SCHEMBL29120529 0.80 HDAC1 (0.45) CA2CA9PLAULMNAMEN1
SCHEMBL30437401 0.80 KMT2A (0.50) CA2LMNAMEN1KMT2ANQO1
SCHEMBL21671191 0.78 TP53 (0.38) CA1CA2CA5ACA9CA5B
SCHEMBL23623916 0.78 HDAC8 (0.40) CA1CA2CA5ACA9CA5B
SCHEMBL14270104 0.77 CA2 (0.52) CA1CA2CA5ACA9CA5B
SCHEMBL23157402 0.77 IDO1 (0.48) CA1CA2CA5ACA9CA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139851-A Antitumor compounds 法马马有限公司 2024-06-04 — — CN disclosed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 — — EP disclosed
EP-4114508-A1 A SYSTEM AND METHOD FOR RELEASING A SPECIES OBOE IPR AB (SE) 2023-01-11 — — EP disclosed
EP-3630965-A1 USE OF TERMINAL TRANSFERASE ENZYME IN NUCLEIC ACID SYNTHESIS Nuclera Nucleics Ltd (GB) 2020-04-08 — — EP disclosed
WO-2018215803-A1 USE OF TERMINAL TRANSFERASE ENZYME IN NUCLEIC ACID SYNTHESIS NUCLERA NUCLEICS LTD (GB) 2018-11-29 — — WO disclosed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 — — EP disclosed
WO-2013100132-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD 中外製薬株式会社 (JP) 2013-07-04 — — WO disclosed
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