SCHEMBL10502183

SCHEMBL10502183

COc1ccccc1-n1[se]c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 8/20 1.00
▸ MPI P34949 2/20 0.55
▸ PHOSPHO1 Q8TCT1 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ QSOX1 O00391 1/20 0.54
▸ RGS12 O14924 1/20 0.54
▸ PMM2 O15305 1/20 0.54
▸ PLIN1 O60240 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ BBOX1 O75936 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYBB P04839 1/20 0.54
▸ BCHE P06276 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54

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
SCHEMBL18818117 0.84 METAP2 (1.00) METAP2MPIPHOSPHO1LMNAMAPT
SCHEMBL10502816 0.84 METAP2 (0.76) METAP2MPIPHOSPHO1LMNAMAPT
SCHEMBL10501734 0.84 METAP2 (0.76) METAP2MPIPHOSPHO1MAPT
SCHEMBL30573252 0.83 METAP2 (0.71) METAP2MPIPHOSPHO1
SCHEMBL10501283 0.81 METAP2 (0.68) METAP2MEN1ALDH1A1MAPTHPGD
SCHEMBL18818125 0.81 METAP2 (1.00) METAP2MPIPHOSPHO1
SCHEMBL26989020 0.81 METAP2 (0.68) METAP2MPIPHOSPHO1KDM4EMEN1
SCHEMBL10501672 0.79 MPI (0.72) METAP2MPIPHOSPHO1KDM4EMEN1
SCHEMBL10502881 0.78 METAP2 (0.68) METAP2MPIPHOSPHO1KDM4EMEN1
SCHEMBL28618904 0.78 METAP2 (0.64) METAP2MPIPHOSPHO1KDM4EMEN1

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 4 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-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
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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