SCHEMBL10958062

SCHEMBL10958062

COc1ccc2[nH]c(=O)n(CCNCCO)c(=O)c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ADRA1B P35368 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 2/20 0.37

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
SCHEMBL10750346 0.88 ADRA2A (0.42) KDM4EMAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL10767817 0.81 ALDH1A1 (0.43) KDM4EMAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL10957936 0.79 CYP1A2 (0.47) KDM4EMAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL10958050 0.77 ADRA2A (0.39) KDM4EMAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL10956542 0.75 ALDH1A1 (0.53) KDM4EMAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL10957578 0.75 ADORA3 (0.42) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL10769001 0.72 ADRA2A (0.74) KDM4EKMT2AHSD17B10ADRA2ADRD2
Bromide SCHEMBL10771783 0.71 ADRA2A (0.73) KDM4EKMT2AHSD17B10ADRA2ADRD2
SCHEMBL10750340 0.69 PDE3B (0.39) KDM4EMAPTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL17517369 0.69 TRPC5 (0.67) KDM4EMAPTKMT2AHSD17B10L3MBTL1

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-0176333-A2 Substituted quinazolinediones ORTHO PHARMACEUTICAL CORPORATION (US) 1986-04-02 — — EP disclosed
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