SCHEMBL22443336

SCHEMBL22443336

NC(CNc1ccc([N+](=O)[O-])c2n[se]nc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GSTM2 P28161 1/20 0.38
▸ KMO O15229 1/20 0.36

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
SCHEMBL22443270 0.86 MAPT (0.46) MAPTALDH1A1MEN1USP2HTT
SCHEMBL22443269 0.86 MAPT (0.46) MAPTALDH1A1MEN1USP2HTT
SCHEMBL1071568 0.83 MEN1 (0.59) MAPTMEN1USP2HTTRECQL
SCHEMBL597411 0.83 MEN1 (0.59) MAPTMEN1USP2HTTRECQL
Hydrochloric Acid SCHEMBL29936057 0.82 MEN1 (0.58) MAPTMEN1USP2HTTRECQL
SCHEMBL7858944 0.78 MAPT (0.42) MAPTALDH1A1MEN1USP2HTT
SCHEMBL29359698 0.74 ALDH1A1 (0.51) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL6671231 0.74 ALDH1A1 (0.51) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL6159827 0.74 ALDH1A1 (0.51) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL5323052 0.74 GSTM2 (0.61) MEN1USP2HTTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941582-A1 SMALL MOLECULE PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY The University Court Of The University Of Edinburgh (GB) 2022-01-26 — — EP disclosed
WO-2020187913-A1 SMALL MOLECULE PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-09-24 — — WO disclosed
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