SCHEMBL10501435

SCHEMBL10501435

Cc1c(-n2[se]c3ccccc3c2=S)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KLK3 P07288 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL10501763 0.88 ALDH1A1 (0.44) TSHRTDP1KMT2AALDH1A1LMNA
SCHEMBL10503465 0.86 METAP2 (0.52) TDP1KMT2AALDH1A1LMNAMAPT
SCHEMBL10501110 0.81 METAP2 (0.47) TSHRKMT2AALDH1A1LMNANPC1
SCHEMBL10502530 0.79 MPI (0.41) TDP1ALDH1A1MAPTMETAP2
SCHEMBL10502430 0.77 METAP2 (0.44) METAP2
SCHEMBL10502143 0.76 METAP2 (0.45) SMN1; SMN2TSHRTDP1KMT2AALDH1A1
SCHEMBL10501265 0.76 MPI (0.49) SMN1; SMN2TSHRTDP1KMT2AALDH1A1
SCHEMBL10501994 0.76 POLB (0.52) SMN1; SMN2ALDH1A1NPC1MAPTMAPK1
SCHEMBL10502218 0.74 CYP1A2 (0.47) SMN1; SMN2TDP1ALDH1A1LMNANPC1
SCHEMBL10501811 0.74 MPI (0.48) TDP1KMT2AALDH1A1LMNAMAPT

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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