SCHEMBL10501622

SCHEMBL10501622

COc1ccc2c(=S)n(-c3nccs3)[se]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ FBP1 P09467 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 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
SCHEMBL10501833 0.90 NPC1 (0.43) RAB9ANPC1MEN1KMT2AFBP1
SCHEMBL5916699 0.86 METAP2 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10501096 0.83 KDM4E (0.34) RAB9ANPC1MEN1KMT2AFBP1
SCHEMBL10502269 0.81 MAPT (0.33) RAB9ANPC1MEN1KMT2AFBP1
SCHEMBL10501085 0.81 MAPT (0.33) RAB9ANPC1MEN1KMT2AFBP1
SCHEMBL10748075 0.79 MAPT (0.40) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL10502494 0.79 TXNRD1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10501689 0.78 FBP1 (0.35) FBP1KDM4EL3MBTL1ALDH1A1HDAC8
SCHEMBL10501841 0.77 KDM4E (0.41) MEN1KMT2ALMNATP53KDM4E
SCHEMBL10502051 0.77 SLC11A2 (0.40) LMNAKDM4EMAPTL3MBTL1ALDH1A1

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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