SCHEMBL10501110

SCHEMBL10501110

Cc1ccc(-n2[se]c3ccccc3c2=S)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.47
▸ MPI P34949 1/20 0.46
▸ PHOSPHO1 Q8TCT1 1/20 0.46
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ POLB P06746 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL10501489 0.86 METAP2 (0.64) METAP2MPIPHOSPHO1
SCHEMBL10501994 0.84 POLB (0.52) METAP2POLBMAPTALDH1A1NPC1
SCHEMBL10501763 0.84 ALDH1A1 (0.44) METAP2MPIPHOSPHO1TSHRCYP3A4
SCHEMBL10501435 0.81 SMN1; SMN2 (0.45) METAP2TSHRMAPTLMNAALDH1A1
SCHEMBL10502143 0.80 METAP2 (0.45) METAP2MPIPHOSPHO1TSHRCYP3A4
SCHEMBL10501645 0.80 MPI (0.54) METAP2MPIPHOSPHO1MAPTALDH1A1
SCHEMBL10501678 0.78 METAP2 (0.49) METAP2MPIPHOSPHO1
SCHEMBL10501600 0.78 METAP2 (0.71) METAP2MPIPHOSPHO1
SCHEMBL10501265 0.78 MPI (0.49) METAP2MPIPHOSPHO1TSHRCYP3A4
SCHEMBL10502376 0.77 MPI (0.69) METAP2MPIPHOSPHO1CYP3A4POLB

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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