SCHEMBL10747422

SCHEMBL10747422

O=[N+]([O-])c1cnc(-n2[se]c3ccccc3c2=S)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ QSOX1 O00391 1/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ PMM2 O15305 1/20 0.35
▸ PLIN1 O60240 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ BBOX1 O75936 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYBB P04839 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL5916836 0.85 METAP2 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10501715 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10503512 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10747582 0.78 METAP2 (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10748921 0.77 MAPT (0.37) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL10746433 0.77 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10502534 0.76 MPI (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10501312 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10502218 0.74 CYP1A2 (0.47) ALDH1A1MAPTLMNATDP1RAB9A
SCHEMBL10748117 0.74 PIN1 (0.45) —

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
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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