SCHEMBL10501833

SCHEMBL10501833

COc1ccc2[se]n(-c3nccs3)c(=S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ METAP2 P50579 2/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PRNP P04156 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ PDE4A P27815 1/20 0.33

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
SCHEMBL10501622 0.90 RAB9A (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10502494 0.86 TXNRD1 (0.52) NPC1RAB9ATXNRD1TXNRD3TXNRD2
SCHEMBL10501573 0.81 MAPT (0.33) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10746448 0.79 TXNRD1 (0.43) NPC1RAB9ATXNRD1TXNRD3TXNRD2
SCHEMBL5916699 0.79 METAP2 (0.46) NPC1RAB9ATXNRD1TXNRD3TXNRD2
SCHEMBL10501841 0.77 KDM4E (0.41) MEN1KMT2ALMNATP53METAP2
SCHEMBL10501980 0.76 METAP2 (0.41) TXNRD1TXNRD3TXNRD2LMNAMETAP2
SCHEMBL10501717 0.76 LMNA (0.35) NPC1MEN1KMT2ALMNAALDH1A1
SCHEMBL10501096 0.75 KDM4E (0.34) NPC1RAB9AMEN1KMT2AFBP1
SCHEMBL10501845 0.75 KDM4E (0.31) NPC1RAB9AMEN1KMT2AFBP1

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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