SCHEMBL25386384

SCHEMBL25386384

O=C(O)NCC(=O)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ BLM P54132 2/20 0.68
▸ L3MBTL1 Q9Y468 7/20 0.67
▸ LMNA P02545 5/20 0.67
▸ ATM Q13315 2/20 0.67
▸ HPGD P15428 1/20 0.67
▸ TDP1 Q9NUW8 4/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NOD2 Q9HC29 1/20 0.56
▸ POLB P06746 1/20 0.55

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
SCHEMBL25385007 0.90 MAPK1 (0.67) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL26264767 0.87 TDP1 (0.71) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25387042 0.87 MAPK1 (0.56) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25386874 0.84 MAPK1 (0.49) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25386473 0.84 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL4654049 0.82 TDP1 (0.72) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL26270721 0.82 KMT2A (0.57) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL11848833 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL31256612 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1BLML3MBTL1
SCHEMBL25386145 0.80 ALDH1A1 (0.54) 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
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
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