SCHEMBL25386646

SCHEMBL25386646

COc1cccc(Oc2ccccc2NC(=O)[C@H](C)NC(=O)c2cccc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.53
▸ PYGM P11217 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PDGFRA P16234 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ GPR139 Q6DWJ6 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ MET P08581 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ TEK Q02763 1/20 0.44

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
SCHEMBL25386647 1.00 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2AALDH1A1
SCHEMBL31595489 1.00 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2AALDH1A1
SCHEMBL30567131 1.00 MTNR1B (0.53) MTNR1BPYGMMEN1KMT2AALDH1A1
SCHEMBL31595464 0.91 L3MBTL1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL25386868 0.91 L3MBTL1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL31256617 0.91 L3MBTL1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL25386863 0.91 L3MBTL1 (0.55) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL25388461 0.87 MTNR1B (0.62) MTNR1BPYGMMEN1KMT2AALDH1A1
SCHEMBL25387001 0.84 MTNR1B (0.52) MTNR1BPYGMMEN1KMT2AALDH1A1
SCHEMBL25386999 0.84 MTNR1B (0.52) MTNR1BPYGMMEN1KMT2AALDH1A1

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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