SCHEMBL31522175

SCHEMBL31522175

COc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc3ccncc23)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.56
▸ DGAT2 Q96PD7 5/20 0.47
▸ PYGM P11217 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ MET P08581 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ PYGL P06737 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL18666151 0.90 MTNR1B (0.63) MTNR1BPYGMALDH1A1POLBKDM4E
SCHEMBL30567101 0.90 MTNR1B (0.63) MTNR1BPYGMALDH1A1POLBKDM4E
SCHEMBL18666157 0.82 ALDH1A1 (0.48) ALDH1A1POLBKDRKDM4ESMN1; SMN2
SCHEMBL18666149 0.82 ALDH1A1 (0.55) MTNR1BALDH1A1POLBKDM4ENPC1
SCHEMBL31120712 0.82 MTNR1B (0.53) MTNR1BALDH1A1POLBAURKAMET
SCHEMBL18666146 0.80 ADRA2C (0.54) MTNR1BALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL29660113 0.80 ADRA2C (0.54) MTNR1BALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL18666150 0.79 MTNR1B (0.47) MTNR1BALDH1A1KDM4ERECQL
SCHEMBL24724259 0.79 MTNR1B (0.69) MTNR1BPYGMALDH1A1POLBKDM4E
SCHEMBL25388461 0.78 MTNR1B (0.62) MTNR1BPYGMALDH1A1POLBPDGFRA

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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