SCHEMBL30567207

SCHEMBL30567207

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CCR1 P32246 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
SCHEMBL25385840 1.00 RXFP1 (0.53) RXFP1L3MBTL1HTTKMT2AMEN1
SCHEMBL30567126 0.90 RXFP1 (0.47) RXFP1L3MBTL1HTTKMT2AMEN1
SCHEMBL25386208 0.90 RXFP1 (0.47) RXFP1L3MBTL1HTTKMT2AMEN1
SCHEMBL30567121 0.87 MAPK1 (0.46) L3MBTL1KMT2AMEN1ALDH1A1BLM
SCHEMBL25386759 0.87 MAPK1 (0.46) L3MBTL1KMT2AMEN1ALDH1A1BLM
SCHEMBL25386145 0.87 ALDH1A1 (0.54) L3MBTL1HTTKMT2AMEN1ALDH1A1
SCHEMBL31256612 0.87 ALDH1A1 (0.54) L3MBTL1HTTKMT2AMEN1ALDH1A1
SCHEMBL25387819 0.83 MAPK1 (0.53) L3MBTL1KMT2AMEN1ALDH1A1BLM
SCHEMBL30567110 0.83 MAPK1 (0.53) L3MBTL1KMT2AMEN1ALDH1A1BLM
SCHEMBL25388664 0.83 POLB (0.49) L3MBTL1KMT2AMEN1ALDH1A1POLB

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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