SCHEMBL10503512

SCHEMBL10503512

O=[N+]([O-])c1ccc(-n2[se]c3ccccc3c2=S)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ METAP2 P50579 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ QSOX1 O00391 1/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ PMM2 O15305 1/20 0.44
▸ PLIN1 O60240 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ BBOX1 O75936 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYBB P04839 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ GLA P06280 1/20 0.44

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
SCHEMBL10501312 0.85 MEN1 (0.46) ALDH1A1METAP2MEN1MAPTKMT2A
SCHEMBL10501892 0.84 METAP2 (0.66) ALDH1A1METAP2MEN1POLBMAPT
SCHEMBL10502345 0.83 ALDH1A1 (0.50) ALDH1A1METAP2MEN1POLBMAPT
SCHEMBL10501715 0.80 MEN1 (0.46) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL10747422 0.79 MEN1 (0.41) ALDH1A1METAP2MEN1POLBMAPT
SCHEMBL10501589 0.79 METAP2 (0.61) ALDH1A1METAP2MEN1POLBMAPT
SCHEMBL10501265 0.79 MPI (0.49) ALDH1A1METAP2MEN1MAPTKMT2A
SCHEMBL10502143 0.79 METAP2 (0.45) ALDH1A1METAP2MEN1MAPTKMT2A
SCHEMBL10501763 0.77 ALDH1A1 (0.44) ALDH1A1METAP2MEN1POLBMAPT
SCHEMBL10501643 0.76 METAP2 (0.46) ALDH1A1METAP2MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154851-B1 BENZISOSELENAZOLETHIONES,PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PRODUCTS CONTAINING THESE COMPOUNDS A. Nattermann & Cie. GmbH (DE) 1989-08-02 — — EP disclosed
US-4711961-A Benzisoselenazolethiones and process for the treatment of various diseases in humans A. NATTERMANN & CIE GMBH (DE) 1987-12-08 — — US disclosed
EP-0154851-A1 Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-18 — — EP disclosed
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