SCHEMBL30567121

SCHEMBL30567121

O=C(CNC(=O)c1cccc2ccccc12)Nc1ccccc1Sc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ HDAC2 Q92769 2/20 0.45
▸ KMT2A Q03164 7/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ AGER Q15109 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL25386759 1.00 MAPK1 (0.46) MAPK1HDAC2KMT2AALDH1A1L3MBTL1
SCHEMBL30567110 0.90 MAPK1 (0.53) MAPK1HDAC2KMT2AALDH1A1L3MBTL1
SCHEMBL25387819 0.90 MAPK1 (0.53) MAPK1HDAC2KMT2AALDH1A1L3MBTL1
SCHEMBL31256612 0.89 ALDH1A1 (0.54) MAPK1KMT2AALDH1A1L3MBTL1GLA
SCHEMBL25386145 0.89 ALDH1A1 (0.54) MAPK1KMT2AALDH1A1L3MBTL1GLA
SCHEMBL25385840 0.87 RXFP1 (0.53) KMT2AALDH1A1L3MBTL1MEN1BLM
SCHEMBL30567207 0.87 RXFP1 (0.53) KMT2AALDH1A1L3MBTL1MEN1BLM
SCHEMBL25388664 0.85 POLB (0.49) KMT2AALDH1A1L3MBTL1MEN1LMNA
SCHEMBL30567137 0.85 POLB (0.49) KMT2AALDH1A1L3MBTL1MEN1LMNA
SCHEMBL25388161 0.85 KMT2A (0.53) HDAC2KMT2AALDH1A1MEN1AGER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4490142-A2 PCNA INHIBITORS AND USES THEREOF City of Hope (US) 2025-01-15 — — EP disclosed
CN-119013247-A PCNA inhibitor and use thereof 希望之城 2024-11-22 — — CN disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
Send feedback