SCHEMBL8345231

SCHEMBL8345231

CCOC(=O)c1c(CC)cn2cccc(OCc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 5/20 0.45
HPGD P15428 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PPIA P62937 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL7011352 0.88 FOLH1 (0.47) ALDH1A1MAPTL3MBTL1TDP1PLA2G1B
SCHEMBL7011022 0.88 KDM4E (0.44) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL9080973 0.84 KMT2A (0.41) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL7014263 0.82 PLA2G1B (0.39) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL3952696 0.80 RXRA (0.49) MAPTL3MBTL1TDP1PLA2G1BMAPK1
SCHEMBL13794527 0.79 MAPT (0.45) ALDH1A1GAAHPGDMAPTPPIA
SCHEMBL7014122 0.77 PLA2G1B (0.53) PLA2G1B
SCHEMBL11070583 0.75 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2582045 0.74 RXRA (0.54) KDM4EKMT2AMAPTSMN1; SMN2PPIA
SCHEMBL8323146 0.73 CA12 (0.64) KDM4EGAAKMT2AMAPTSMN1; SMN2

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
WO-1999024033-A1 METHOD FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH APOPTOSIS USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1999-05-20 WO disclosed
WO-1998047507-A1 METHOD FOR THE TREATMENT OF STROKE USING N-HETEROCYCLIC GLYOXYLAMIDE COMPOUNDS SHIONOGI & CO., LTD. (JP) 1998-10-29 WO disclosed