SCHEMBL10501689

SCHEMBL10501689

FC(F)(F)c1ccc2c(=S)n(-c3nccs3)[se]c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ SCD O00767 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.31
▸ SCN9A Q15858 7/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ NCF1 P14598 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SYK P43405 1/20 0.30

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
SCHEMBL10503662 0.86 EP300 (0.36) FBP1CYP3A4SCDSCN9AKIF11
SCHEMBL10501085 0.83 MAPT (0.33) FBP1CYP3A4KDM4EALDH1A1GAA
SCHEMBL10501096 0.81 KDM4E (0.34) FBP1KDM4EALDH1A1GAAL3MBTL1
SCHEMBL10502269 0.81 MAPT (0.33) FBP1CYP3A4KDM4EALDH1A1GAA
SCHEMBL10746681 0.79 MAT2A (0.41) KIF11ADRB2NCF1
SCHEMBL10501622 0.78 RAB9A (0.43) FBP1HDAC8KDM4EALDH1A1L3MBTL1
SCHEMBL10501841 0.77 KDM4E (0.41) CYP3A4SCDNCF1KDM4EALDH1A1
SCHEMBL10502254 0.76 SLC11A2 (0.39) KIF11KDM4EALDH1A1GAA
SCHEMBL10501845 0.75 KDM4E (0.31) FBP1KDM4EALDH1A1
SCHEMBL10501664 0.74 G6PD (0.40) CYP3A4KIF11NCF1KDM4EALDH1A1

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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