SCHEMBL10502370

SCHEMBL10502370

O=[N+]([O-])c1ccc2[se]n(-c3ccccn3)c(=S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ SLC11A2 P49281 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL5916533 0.86 KMT2A (0.45) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10748921 0.86 MAPT (0.37) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL10502345 0.81 ALDH1A1 (0.50) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10501631 0.78 MAT2A (0.38) MAPTKDM4ELMNAALDH1A1
SCHEMBL10501715 0.78 MEN1 (0.46) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10501717 0.77 LMNA (0.35) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10502474 0.77 ALDH1A1 (0.38) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10501980 0.75 METAP2 (0.41) MAPTKDM4ELMNASLC11A2ALDH1A1
SCHEMBL10748866 0.74 L3MBTL1 (0.43) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL10501557 0.74 CD274 (0.34) KMT2AMAPTMEN1KDM4ELMNA

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
Send feedback