SCHEMBL10501645

SCHEMBL10501645

Cc1ccc(-n2[se]c3ccccc3c2=S)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.54
▸ PHOSPHO1 Q8TCT1 1/20 0.54
▸ METAP2 P50579 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL10502376 0.88 MPI (0.69) MPIPHOSPHO1METAP2ALDH1A1MEN1
SCHEMBL10501600 0.85 METAP2 (0.71) MPIPHOSPHO1METAP2
SCHEMBL10502541 0.85 METAP2 (0.47) MPIPHOSPHO1METAP2ALDH1A1
SCHEMBL10501742 0.85 METAP2 (0.47) MPIPHOSPHO1METAP2
SCHEMBL10501678 0.85 METAP2 (0.49) MPIPHOSPHO1METAP2
SCHEMBL10501811 0.84 MPI (0.48) MPIPHOSPHO1METAP2ALDH1A1MEN1
SCHEMBL10501423 0.82 MPI (0.78) MPIPHOSPHO1METAP2ALDH1A1MEN1
SCHEMBL10502143 0.80 METAP2 (0.45) MPIPHOSPHO1METAP2ALDH1A1MEN1
SCHEMBL10501110 0.80 METAP2 (0.47) MPIPHOSPHO1METAP2ALDH1A1MEN1
SCHEMBL10501877 0.78 METAP2 (0.66) MPIPHOSPHO1METAP2ALDH1A1MEN1

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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