SCHEMBL11020733

SCHEMBL11020733

COc1ccc2[se]n(-c3ncccn3)c(=S)c2c1.S=c1c2cc(Cl)ccc2[se]n1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL10746448 0.93 TXNRD1 (0.43) METAP2TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL10743453 0.89 METAP2 (0.34) METAP2MAPTKMT2AKDM4EALDH1A1
SCHEMBL10748075 0.82 MAPT (0.40) METAP2MAPTNPC1RAB9AKMT2A
SCHEMBL10501980 0.79 METAP2 (0.41) METAP2TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL10747300 0.78 NR4A2 (0.33) METAP2KMT2AALDH1A1
SCHEMBL10745708 0.77 TXNRD1 (0.56) METAP2TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL10501631 0.75 MAT2A (0.38) METAP2MAPTKDM4EALDH1A1HPGD
SCHEMBL10503543 0.74 METAP2 (0.50) METAP2TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL10501833 0.73 NPC1 (0.43) METAP2TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL10745932 0.72 METAP2 (0.45) METAP2MAPTKMT2AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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