SCHEMBL10502271

SCHEMBL10502271

O=c1c2ccccc2[se]n1-c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 1.00
▸ KDM4E B2RXH2 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ QSOX1 O00391 1/20 0.68
▸ RGS12 O14924 1/20 0.68
▸ PMM2 O15305 1/20 0.68
▸ PLIN1 O60240 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ BBOX1 O75936 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ TP53 P04637 1/20 0.68
▸ CYBB P04839 1/20 0.68
▸ BCHE P06276 1/20 0.68
▸ GLA P06280 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ G6PD P11413 1/20 0.68

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
SCHEMBL10501773 0.83 METAP2 (0.70) METAP2KDM4EMEN1QSOX1RGS12
SCHEMBL10501092 0.82 METAP2 (1.00) METAP2KDM4EMEN1QSOX1RGS12
Ebselen SCHEMBL33829 0.81 METAP2 (1.00) METAP2KDM4EMEN1QSOX1RGS12
Ebselen SCHEMBL4406056 0.81 METAP2 (1.00) METAP2KDM4EMEN1QSOX1RGS12
Ebselen SCHEMBL29370082 0.81 METAP2 (1.00) METAP2KDM4EMEN1QSOX1RGS12
SCHEMBL30573261 0.81 METAP2 (0.68) METAP2KDM4EMEN1QSOX1RGS12
SCHEMBL10501843 0.81 METAP2 (0.69) METAP2KDM4EMEN1QSOX1RGS12
SCHEMBL10604411 0.81 METAP2 (0.68) METAP2KDM4EMEN1QSOX1RGS12
SCHEMBL10501084 0.81 METAP2 (0.68) METAP2KDM4EMEN1QSOX1RGS12
SCHEMBL5916736 0.81 METAP2 (0.69) METAP2KDM4EMEN1QSOX1RGS12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110877-B Benzisoselenazolone derivative, preparation method and application thereof in anti-coronavirus medicament 青岛大学 2023-09-08 — — CN disclosed
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-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
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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