SCHEMBL10749003

SCHEMBL10749003

O=c1c2ccccc2[se]n1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ QSOX1 O00391 1/20 0.54
▸ RGS12 O14924 1/20 0.54
▸ PMM2 O15305 1/20 0.54
▸ PLIN1 O60240 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ BBOX1 O75936 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYBB P04839 1/20 0.54
▸ BCHE P06276 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54

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
SCHEMBL10746207 0.83 MEN1 (0.47) METAP2MEN1KMT2ANPSR1KDM4E
SCHEMBL10749275 0.78 METAP2 (0.54) METAP2MEN1KMT2ANPSR1KDM4E
SCHEMBL10744892 0.77 METAP2 (0.55) METAP2MEN1KMT2ANPSR1KDM4E
SCHEMBL5916782 0.73 METAP2 (0.61) METAP2MEN1KMT2ANPSR1KDM4E
Ebselen SCHEMBL29370082 0.71 METAP2 (1.00) METAP2MEN1KMT2ANPSR1KDM4E
Ebselen SCHEMBL33829 0.71 METAP2 (1.00) METAP2MEN1KMT2ANPSR1KDM4E
Ebselen SCHEMBL4406056 0.71 METAP2 (1.00) METAP2MEN1KMT2ANPSR1KDM4E
SCHEMBL5916531 0.71 METAP2 (0.59) METAP2MEN1KMT2ANPSR1KDM4E
SCHEMBL10744093 0.71 METAP2 (0.57) METAP2MEN1KMT2ANPSR1KDM4E
SCHEMBL10746865 0.70 METAP2 (0.55) METAP2MEN1KMT2ANPSR1KDM4E

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 4 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
US-4550168-A Benzisoselenazolones and a process for the treatment of inflammatory diseases A. NATTERMANN & CIE GMBH (DE) 1985-10-29 — — 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
EP-0100899-A2 Benzisoselenazolones, process for their preparation and pharmaceutical compositions containing them A. Nattermann & Cie. GmbH (DE) 1984-02-22 — — EP disclosed
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