SCHEMBL10502592

SCHEMBL10502592

S=c1c2ccccc2[se]n1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ METAP2 P50579 2/20 0.42
▸ HSD17B10 Q99714 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
▸ LMNA P02545 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
SCHEMBL10502470 0.82 METAP2 (0.46) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10501589 0.81 METAP2 (0.61) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL5916907 0.81 METAP2 (0.68) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10746688 0.77 KDM4E (0.35) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10747607 0.74 KDM4E (0.41) ALDH1A1HTTKMT2ACYP3A4MAPT
SCHEMBL10747582 0.73 METAP2 (0.40) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10501739 0.73 METAP2 (0.44) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10501844 0.72 METAP2 (0.66) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10501643 0.72 METAP2 (0.46) ALDH1A1NPSR1ALOX12HTTMEN1
SCHEMBL10501877 0.72 METAP2 (0.66) ALDH1A1NPSR1ALOX12HTTMEN1

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
Send feedback