SCHEMBL10501988

SCHEMBL10501988

COc1cccc2[se]n(-c3nccs3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ METAP2 P50579 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ KAT2A Q92830 1/20 0.36

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
SCHEMBL10501858 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10748282 0.81 METAP2 (0.46) KDM4EALDH1A1HSD17B10POLBNPC1
SCHEMBL5916620 0.80 MEN1 (0.42) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10501696 0.78 METAP2 (0.46) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL10503581 0.75 METAP2 (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5916638 0.74 METAP2 (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10502494 0.72 TXNRD1 (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5916699 0.72 METAP2 (0.46) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10502365 0.71 NPC1 (0.35) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10749380 0.68 METAP2 (0.42) KDM4EALDH1A1HPGDPOLBNPC1

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 2 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
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