SCHEMBL26507916

SCHEMBL26507916

COc1cc(O)c2c(c1O)C(=O)c1cc(C)ncc1C2=N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ EPHX2 P34913 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ELANE P08246 3/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLQ O75417 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2137144 0.90 PSMB8 (0.42) MAOAPIM1PSMB8PSMB5PSMB10
SCHEMBL31536856 0.83 PSMB8 (0.42) MAOAPIM1PSMB8PSMB5PSMB10
SCHEMBL29395157 0.74 MEN1 (0.53) MAOAPIM1PSMB5EPHX2MAPT
SCHEMBL23198970 0.73 MAPT (0.47) MAOAPIM1EPHX2MAPTMEN1
Austrocortirubin SCHEMBL29357393 0.70 LCK (0.56) MAOAPIM1EPHX2MAPTMEN1
Austrocortirubin SCHEMBL23199031 0.70 LCK (0.56) MAOAPIM1EPHX2MAPTMEN1
SCHEMBL29709363 0.69 PIM1 (0.69) MAOAPIM1PSMB5EPHX2MAPT
Scorpinone SCHEMBL28573056 0.67 ALDH1A1 (0.64) MAOAPSMB8PSMB5PSMB10EPHX2
SCHEMBL5820346 0.64 MEN1 (0.47) MAOAPIM1EPHX2MAPTMEN1
SCHEMBL5820540 0.64 PTGS2 (0.39) MAOAPIM1MAPTMEN1KMT2A

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
WO-2023187100-A1 ISOLATED FUSARIUM SOLANI IIa AND ITS USE FOR DYEING SUBSTRATES VTL GMBH (AT) 2023-10-05 — — WO disclosed
Send feedback