SCHEMBL30567126

SCHEMBL30567126

O=C(CNC(=O)c1cccc2ccccc12)Nc1ccccc1Sc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TAOK1 Q7L7X3 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ BLM P54132 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL25386208 1.00 RXFP1 (0.47) RXFP1TAOK1ALDH1A1BLMLMNA
SCHEMBL30567207 0.90 RXFP1 (0.53) RXFP1ALDH1A1BLMLMNAKMT2A
SCHEMBL25385840 0.90 RXFP1 (0.53) RXFP1ALDH1A1BLMLMNAKMT2A
SCHEMBL30567110 0.89 MAPK1 (0.53) TAOK1ALDH1A1BLMLMNANPSR1
SCHEMBL25387819 0.89 MAPK1 (0.53) TAOK1ALDH1A1BLMLMNANPSR1
SCHEMBL25386145 0.88 ALDH1A1 (0.54) TAOK1ALDH1A1BLMLMNANPSR1
SCHEMBL31256612 0.88 ALDH1A1 (0.54) TAOK1ALDH1A1BLMLMNANPSR1
SCHEMBL25386852 0.87 L3MBTL1 (0.50) TAOK1ALDH1A1BLMLMNANPSR1
SCHEMBL25386759 0.83 MAPK1 (0.46) TAOK1ALDH1A1BLMLMNANPSR1
SCHEMBL30567121 0.83 MAPK1 (0.46) TAOK1ALDH1A1BLMLMNANPSR1

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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