SCHEMBL31522178

SCHEMBL31522178

COc1cc(C)cc(Oc2ccccc2NC(=O)CNC(=O)c2cccc3cc(C)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PDGFRA P16234 1/20 0.43
▸ KDR P35968 4/20 0.43
▸ AURKA O14965 2/20 0.43
▸ MET P08581 2/20 0.43
▸ TEK Q02763 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL30567101 0.85 MTNR1B (0.63) MTNR1BKDM4EALDH1A1LMNAPOLB
SCHEMBL18666151 0.85 MTNR1B (0.63) MTNR1BKDM4EALDH1A1LMNAPOLB
SCHEMBL18666149 0.83 ALDH1A1 (0.55) MTNR1BKDM4EALDH1A1LMNAPOLB
SCHEMBL18666146 0.79 ADRA2C (0.54) MTNR1BALDH1A1LMNAPOLBTDP1
SCHEMBL29660113 0.79 ADRA2C (0.54) MTNR1BALDH1A1LMNAPOLBTDP1
SCHEMBL31522175 0.78 MTNR1B (0.56) MTNR1BKDM4EALDH1A1POLBPDGFRA
SCHEMBL31120712 0.78 MTNR1B (0.53) MTNR1BKDM4EALDH1A1LMNAPOLB
SCHEMBL18666150 0.77 MTNR1B (0.47) MTNR1BKDM4EALDH1A1MAPT
SCHEMBL25386731 0.77 MTNR1B (0.61) MTNR1BALDH1A1LMNAPOLBPKM
SCHEMBL31522180 0.77 MTNR1B (0.50) MTNR1BKDM4EALDH1A1LMNAPOLB

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-2025054318-A1 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2025-03-13 — — WO disclosed
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