SCHEMBL30567095

SCHEMBL30567095

O=C(CNC(=O)c1cccc2ccccc12)Nc1ccccc1Sc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ AGER Q15109 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ HDAC2 Q92769 2/20 0.45
▸ TAOK1 Q7L7X3 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ HDAC8 Q9BY41 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
SCHEMBL25388161 1.00 KMT2A (0.53) KMT2AAGERALDH1A1HDAC2TAOK1
SCHEMBL30567110 0.87 MAPK1 (0.53) KMT2AAGERALDH1A1HDAC2TAOK1
SCHEMBL25387819 0.87 MAPK1 (0.53) KMT2AAGERALDH1A1HDAC2TAOK1
SCHEMBL31256612 0.86 ALDH1A1 (0.54) KMT2AALDH1A1TAOK1PPARGMEN1
SCHEMBL25386145 0.86 ALDH1A1 (0.54) KMT2AALDH1A1TAOK1PPARGMEN1
SCHEMBL25386759 0.85 MAPK1 (0.46) KMT2AAGERALDH1A1HDAC2TAOK1
SCHEMBL30567121 0.85 MAPK1 (0.46) KMT2AAGERALDH1A1HDAC2TAOK1
SCHEMBL25386852 0.83 L3MBTL1 (0.50) KMT2AAGERALDH1A1TAOK1PPARG
SCHEMBL25386208 0.82 RXFP1 (0.47) KMT2AALDH1A1HDAC2TAOK1PPARG
SCHEMBL30567126 0.82 RXFP1 (0.47) KMT2AALDH1A1HDAC2TAOK1PPARG

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
EP-4490142-A2 PCNA INHIBITORS AND USES THEREOF City of Hope (US) 2025-01-15 — — EP disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
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