SCHEMBL10502345

SCHEMBL10502345

O=[N+]([O-])c1ccc2[se]n(-c3ccccc3)c(=S)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MPI P34949 2/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ G6PD P11413 2/20 0.45
▸ TLR9 Q9NR96 1/20 0.45
▸ PHOSPHO1 Q8TCT1 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ QSOX1 O00391 1/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ PMM2 O15305 1/20 0.42
▸ PLIN1 O60240 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ BBOX1 O75936 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYBB P04839 1/20 0.42

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
SCHEMBL10502469 0.86 METAP2 (0.59) ALDH1A1MEN1KMT2AMPIG6PD
SCHEMBL10503512 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMPIG6PD
SCHEMBL10501312 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL10748921 0.81 MAPT (0.37) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL10502370 0.81 KMT2A (0.42) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL10502151 0.75 METAP2 (0.44) ALDH1A1MEN1KMT2AMPIG6PD
SCHEMBL10501717 0.75 LMNA (0.35) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL10501265 0.74 MPI (0.49) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL10502143 0.74 METAP2 (0.45) ALDH1A1MEN1KMT2AMPIAPOBEC3G
SCHEMBL10501589 0.73 METAP2 (0.61) ALDH1A1MEN1KMT2AMPIG6PD

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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