SCHEMBL10502143

SCHEMBL10502143

Cc1cc([N+](=O)[O-])ccc1-n1[se]c2ccccc2c1=S

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MPI P34949 2/20 0.40
▸ PHOSPHO1 Q8TCT1 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL10501265 0.90 MPI (0.49) METAP2ALDH1A1TDP1TSHRMPI
SCHEMBL10502027 0.86 METAP2 (0.62) METAP2MPIPHOSPHO1
SCHEMBL10501110 0.80 METAP2 (0.47) METAP2ALDH1A1TSHRMPIPHOSPHO1
SCHEMBL10501645 0.80 MPI (0.54) METAP2ALDH1A1MPIPHOSPHO1MAPT
SCHEMBL10503512 0.79 ALDH1A1 (0.44) METAP2ALDH1A1TDP1MPIPHOSPHO1
SCHEMBL10501312 0.78 MEN1 (0.46) METAP2ALDH1A1TSHRMPIMAPT
SCHEMBL10501742 0.78 METAP2 (0.47) METAP2MPIPHOSPHO1
SCHEMBL10502541 0.78 METAP2 (0.47) METAP2ALDH1A1MPIPHOSPHO1
SCHEMBL10501811 0.76 MPI (0.48) METAP2ALDH1A1TDP1MPIPHOSPHO1
SCHEMBL10501435 0.76 SMN1; SMN2 (0.45) METAP2ALDH1A1TDP1TSHRMAPT

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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