SCHEMBL10501684

SCHEMBL10501684

Cc1ccnc(-n2[se]c3ccccc3c2=S)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MPI P34949 1/20 0.42
▸ PHOSPHO1 Q8TCT1 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ METAP2 P50579 3/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ DPP4 P27487 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
SCHEMBL10501411 0.83 METAP2 (0.38) MPIPHOSPHO1ALDH1A1LMNAKDM4E
SCHEMBL5916688 0.83 MPI (0.58) SMN1; SMN2MPIPHOSPHO1ALDH1A1LMNA
SCHEMBL10501920 0.81 METAP2 (0.40) MPIPHOSPHO1ALDH1A1LMNAKDM4E
SCHEMBL10502474 0.80 ALDH1A1 (0.38) SMN1; SMN2MPIPHOSPHO1ALDH1A1LMNA
SCHEMBL10502337 0.79 ALDH1A1 (0.38) SMN1; SMN2MPIPHOSPHO1ALDH1A1LMNA
SCHEMBL10501746 0.78 METAP2 (0.43) SMN1; SMN2MPIPHOSPHO1ALDH1A1LMNA
SCHEMBL10746688 0.77 KDM4E (0.35) MPIPHOSPHO1ALDH1A1LMNAKDM4E
SCHEMBL10748639 0.75 METAP2 (0.37) MPIPHOSPHO1ALDH1A1LMNAKDM4E
SCHEMBL10744770 0.75 KDM4E (0.44) MPIPHOSPHO1ALDH1A1LMNAKDM4E
SCHEMBL10502481 0.75 METAP2 (0.46) MPIPHOSPHO1ALDH1A1LMNAKDM4E

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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