SCHEMBL25387353

SCHEMBL25387353

Cc1ccc(Sc2ccccc2NC(=O)[C@@H](N)CCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ ALDH1A1 P00352 7/20 0.45
▸ LMNA P02545 7/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ BLM P54132 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ATM Q13315 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL25387355 1.00 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL30567190 0.85 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL30567233 0.76 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL31595672 0.76 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL25386639 0.76 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL25386644 0.76 L3MBTL1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL28447277 0.74 LTA4H (0.49) L3MBTL1LMNABLMLTA4H
SCHEMBL25384740 0.73 PTPN1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL25384735 0.73 PTPN1 (0.46) L3MBTL1TDP1ALDH1A1LMNAHPGD
SCHEMBL28770107 0.72 L3MBTL1 (0.60) L3MBTL1TDP1ALDH1A1LMNAHPGD

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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