SCHEMBL10501715

SCHEMBL10501715

O=[N+]([O-])c1ccc(-n2[se]c3ccccc3c2=S)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPBWR1 P48145 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ TNNI3 P19429 1/20 0.37
▸ TNNT2 P45379 1/20 0.37
▸ TNNC1 P63316 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ AGTR1 P30556 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
SCHEMBL5916976 0.86 MEN1 (0.47) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL10747422 0.84 MEN1 (0.41) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL10503512 0.80 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10502370 0.78 KMT2A (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10501746 0.77 METAP2 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10501733 0.77 METAP2 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10502534 0.74 MPI (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10501312 0.74 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10502143 0.73 METAP2 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10501265 0.73 MPI (0.49) MEN1KMT2AMAPTALDH1A1LMNA

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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