SCHEMBL25384654

SCHEMBL25384654

CC(C)C(NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ POLB P06746 2/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MITF O75030 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CASP3 P42574 2/20 0.44
▸ CASP6 P55212 2/20 0.44
▸ CASP8 Q14790 2/20 0.44
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ ADRA2C P18825 1/20 0.42

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
SCHEMBL31595638 1.00 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL25384652 1.00 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL30567125 1.00 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL25387247 1.00 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL30567135 1.00 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL25386863 0.89 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL31256617 0.89 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL31595464 0.89 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL25386868 0.89 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1LMNAPOLB
SCHEMBL26263870 0.85 ANPEP (0.52) MEN1KMT2AL3MBTL1LMNAPOLB

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-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
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