SCHEMBL31256612

SCHEMBL31256612

O=C(CNC(=O)c1cccc2ccccc12)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ BLM P54132 2/20 0.54
▸ L3MBTL1 Q9Y468 6/20 0.53
▸ LMNA P02545 4/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ TDP1 Q9NUW8 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PPARG P37231 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TAOK1 Q7L7X3 1/20 0.46

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
SCHEMBL25386145 1.00 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL30567110 0.91 MAPK1 (0.53) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25387819 0.91 MAPK1 (0.53) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25386852 0.91 L3MBTL1 (0.50) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25386759 0.89 MAPK1 (0.46) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL30567121 0.89 MAPK1 (0.46) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25386208 0.88 RXFP1 (0.47) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL30567126 0.88 RXFP1 (0.47) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25388664 0.87 POLB (0.49) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL25385840 0.87 RXFP1 (0.53) ALDH1A1KMT2AMEN1BLML3MBTL1

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
CN-119013247-A PCNA inhibitor and use thereof 希望之城 2024-11-22 — — CN disclosed
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