SCHEMBL10501892

SCHEMBL10501892

O=c1c2ccccc2[se]n1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.66
▸ HDAC6 Q9UBN7 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ QSOX1 O00391 1/20 0.66
▸ RGS12 O14924 1/20 0.66
▸ PMM2 O15305 1/20 0.66
▸ PLIN1 O60240 1/20 0.66
▸ GMNN O75496 1/20 0.66
▸ BBOX1 O75936 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ CYBB P04839 1/20 0.66
▸ BCHE P06276 1/20 0.66
▸ GLA P06280 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ MAPT P10636 1/20 0.66

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
SCHEMBL10501872 0.84 METAP2 (0.62) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL10503512 0.84 ALDH1A1 (0.44) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL10502469 0.84 METAP2 (0.59) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL193047 0.80 METAP2 (0.79) METAP2HDAC6KDM4EMEN1QSOX1
Ebselen SCHEMBL4406056 0.80 METAP2 (1.00) METAP2HDAC6KDM4EMEN1QSOX1
Ebselen SCHEMBL29370082 0.80 METAP2 (1.00) METAP2HDAC6KDM4EMEN1QSOX1
Ebselen SCHEMBL33829 0.80 METAP2 (1.00) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL5916976 0.79 MEN1 (0.47) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL28783439 0.79 METAP2 (0.77) METAP2HDAC6KDM4EMEN1QSOX1
Ebselen SCHEMBL19064566 0.79 METAP2 (0.96) METAP2HDAC6KDM4EMEN1QSOX1

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 11 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
EP-0198277-B1 DISELENO-BIS-BENZAMIDES OF PRIMARY AND SECONDARY AMINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1989-05-03 — — EP disclosed
EP-0165534-B1 S-(CARBAMOYL-PHENYLSELENYL) DERIVATIVES OF GLUTATHION AND OF AMINO MERCAPTOCARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1989-03-15 — — EP disclosed
EP-0187233-B1 S-(CARBAMOYL-PHENYLSELENYL) DERIVATIVES OF MERCAPTANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1988-03-16 — — EP disclosed
US-4730053-A DISEASES, CELL INJURIES, METABOLITES A. NATTERMANN & CIE GMBH (DE) 1988-03-08 — — US 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-0198277-A1 Diseleno-bis-benzamides of primary and secondary amines, processes for their production and pharmaceutical preparations containing them A. Nattermann & Cie. GmbH (DE) 1986-10-22 — — EP disclosed
US-4618669-A FOR CELL INJURIES CAUSED BY ACTIVE OXYGEN METABOLITES A. NATTERMANN & CIE GMBH (DE) 1986-10-21 — — US disclosed
EP-0187233-A1 S-(carbamoyl-phenylselenyl) derivatives of mercaptans, process for their preparation and pharmaceutical preparations containing them A. Nattermann & Cie. GmbH (DE) 1986-07-16 — — EP disclosed
EP-0165534-A2 S-(carbamoyl-phenylselenyl) derivatives of glutathion and of amino mercaptocarboxylic acids, process for their preparation and pharmaceutical preparations containing them A. Nattermann & Cie. GmbH (DE) 1985-12-27 — — EP 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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