SCHEMBL10746448

SCHEMBL10746448

COc1ccc2[se]n(-c3ncccn3)c(=S)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43
▸ METAP2 P50579 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ PRNP P04156 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ GAA P10253 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
SCHEMBL11020733 0.93 METAP2 (0.38) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10748075 0.89 MAPT (0.40) METAP2MAPTNPC1RAB9AKMT2A
SCHEMBL10501980 0.85 METAP2 (0.41) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10745708 0.83 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10503543 0.80 METAP2 (0.50) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10501833 0.79 NPC1 (0.43) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10502051 0.76 SLC11A2 (0.40) METAP2MAPTALDH1A1KDM4E
SCHEMBL10747582 0.76 METAP2 (0.40) METAP2MAPTKMT2AALDH1A1KDM4E
SCHEMBL10746470 0.75 METAP2 (0.52) TXNRD1TXNRD3TXNRD2METAP2MAPT
SCHEMBL10501793 0.75 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2METAP2ALDH1A1

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
Send feedback