SCHEMBL10745708

SCHEMBL10745708

COc1ccc2[se]n(-c3ncccn3)c(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.56
▸ TXNRD3 Q86VQ6 1/20 0.56
▸ TXNRD2 Q9NNW7 1/20 0.56
▸ METAP2 P50579 5/20 0.52
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KAT2B Q92831 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ MMP10 P09238 2/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL10746470 0.89 METAP2 (0.52) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10501793 0.88 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2METAP2KAT2B
SCHEMBL10746448 0.83 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2METAP2NPC1
SCHEMBL10501657 0.81 METAP2 (0.71) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10502494 0.80 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2METAP2NPC1
SCHEMBL5916746 0.78 METAP2 (0.53) TXNRD1TXNRD3TXNRD2METAP2
SCHEMBL10745932 0.78 METAP2 (0.45) METAP2MAPTKMT2A
SCHEMBL11020733 0.77 METAP2 (0.38) TXNRD1TXNRD3TXNRD2METAP2NPC1
SCHEMBL5916782 0.76 METAP2 (0.61) METAP2MAPTKMT2A
SCHEMBL10748075 0.75 MAPT (0.40) METAP2NPC1MAPTKMT2A

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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