SCHEMBL17513820

SCHEMBL17513820

[N-]=[N+]=Nc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PTGS2 P35354 4/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TRPA1 O75762 1/20 0.45

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
SCHEMBL17513819 1.00 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL13667405 0.90 CA1 (0.52) ALDH1A1MAPTMEN1KMT2ARAB9A
Benzene SCHEMBL28456073 0.90 PTGS2 (0.48) ALDH1A1PTGS2CA1CA2CA5A
SCHEMBL13475909 0.90 — —
Chlorobenzene SCHEMBL28995009 0.90 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A
Toluene SCHEMBL27755902 0.90 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL17289458 0.87 PTGS2 (0.47) ALDH1A1PTGS2CA1CA2CA5A
Phosphine SCHEMBL29065184 0.87 PTGS2 (0.47) ALDH1A1PTGS2CA1CA2CA5A
Fluoride SCHEMBL28295332 0.87 PTGS2 (0.47) ALDH1A1PTGS2CA1CA2CA5A
Fluoride SCHEMBL27800819 0.87 PTGS2 (0.47) ALDH1A1PTGS2CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170268997-A1 CHEMICAL PROBES FOR HYDROGEN SULFIDE THE UNIVERSITY OF UTAH 2017-09-21 — — US claimed
EP-3183561-A1 CHEMICAL PROBES FOR HYDROGEN SULFIDE The University of Utah Research Foundation (US) 2017-06-28 — — EP claimed
WO-2016028768-A1 CHEMICAL PROBES FOR HYDROGEN SULFIDE THE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-02-25 — — WO claimed
CN-121927471-A Preparation method of high-stability light response covalent organic framework film and application of high-stability light response covalent organic framework film in multicomponent selective separation 河南师范大学 2026-04-28 — — CN disclosed
US-10989659-B2 Chemical probes for hydrogen sulfide UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-04-27 — — US disclosed
US-20170268997-A1 CHEMICAL PROBES FOR HYDROGEN SULFIDE THE UNIVERSITY OF UTAH 2017-09-21 — — US disclosed
EP-3183561-A1 CHEMICAL PROBES FOR HYDROGEN SULFIDE The University of Utah Research Foundation (US) 2017-06-28 — — EP disclosed
WO-2016028768-A1 CHEMICAL PROBES FOR HYDROGEN SULFIDE THE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-02-25 — — WO disclosed
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