SCHEMBL10748866

SCHEMBL10748866

O=c1c2cc([N+](=O)[O-])ccc2[se]n1-c1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ G6PD P11413 2/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PHOSPHO1 Q8TCT1 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ QSOX1 O00391 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ PMM2 O15305 1/20 0.38

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
SCHEMBL5916533 0.88 KMT2A (0.45) L3MBTL1G6PDTLR9MAPTALDH1A1
SCHEMBL10748921 0.85 MAPT (0.37) L3MBTL1IDO1MAPTTDP1PARP1
SCHEMBL10502469 0.82 METAP2 (0.59) G6PDTLR9IDO1MAPTTDP1
SCHEMBL5916501 0.81 L3MBTL1 (0.40) L3MBTL1G6PDTLR9MAPTTDP1
SCHEMBL18770213 0.77 ALDH1A1 (0.41) L3MBTL1G6PDTLR9MAPTTDP1
SCHEMBL10745932 0.77 METAP2 (0.45) G6PDIDO1MAPTTDP1ALDH1A1
SCHEMBL5916836 0.77 METAP2 (0.49) G6PDIDO1MAPTTDP1ALDH1A1
SCHEMBL5916782 0.75 METAP2 (0.61) G6PDIDO1MAPTTDP1ALDH1A1
SCHEMBL10502370 0.74 KMT2A (0.42) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10745708 0.74 TXNRD1 (0.56) MAPTKAT2BKMT2AMETAP2

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
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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