SCHEMBL26264767

SCHEMBL26264767

O=C(CNC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.71
▸ MAPT P10636 2/20 0.71
▸ ALDH1A1 P00352 7/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ BLM P54132 2/20 0.63
▸ L3MBTL1 Q9Y468 7/20 0.62
▸ LMNA P02545 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ ATM Q13315 1/20 0.62
▸ GLA P06280 1/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NOD2 Q9HC29 1/20 0.52

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
SCHEMBL25386384 0.87 ALDH1A1 (0.68) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL28896841 0.84 TDP1 (1.00) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL31256612 0.81 ALDH1A1 (0.54) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL25386145 0.81 ALDH1A1 (0.54) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL25385007 0.78 MAPK1 (0.67) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL26270721 0.78 KMT2A (0.57) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL11848833 0.78 ALDH1A1 (1.00) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL30950621 0.77 ALDH1A1 (0.55) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL30950637 0.76 TDP1 (0.57) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL11163161 0.76 MAPT (0.73) TDP1MAPTALDH1A1KMT2AMEN1

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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