SCHEMBL10501746

SCHEMBL10501746

Cc1ccc(-n2[se]c3ccccc3c2=S)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.43
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ MPI P34949 2/20 0.40
▸ PHOSPHO1 Q8TCT1 2/20 0.40
▸ TP53 P04637 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5916706 0.82 METAP2 (0.61) METAP2MPIPHOSPHO1TP53PKM
SCHEMBL10501733 0.82 METAP2 (0.36) METAP2MPIPHOSPHO1TP53PKM
SCHEMBL10502474 0.78 ALDH1A1 (0.38) METAP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10501684 0.78 SMN1; SMN2 (0.45) METAP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10501715 0.77 MEN1 (0.46) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL10501920 0.77 METAP2 (0.40) METAP2MPIPHOSPHO1TP53PKM
SCHEMBL10501877 0.76 METAP2 (0.66) METAP2MPIPHOSPHO1TP53PKM
SCHEMBL10502063 0.76 METAP2 (0.39) METAP2GRIN2BMPIPHOSPHO1TP53
SCHEMBL10746688 0.75 KDM4E (0.35) METAP2MPIPHOSPHO1TP53PKM
SCHEMBL10502337 0.74 ALDH1A1 (0.38) METAP2MPIPHOSPHO1SMN1; SMN2ALDH1A1

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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