SCHEMBL30679197

SCHEMBL30679197

CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)Nc5cccc(OC)c5)c4)o3)C2=O)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XPA P23025 17/20 0.85
MEN1 O00255 2/20 0.69
APEX1 P27695 2/20 0.69
KMT2A Q03164 2/20 0.69
NTSR1 P30989 1/20 0.69
GALK1 P51570 1/20 0.69
EP300 Q09472 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL29385593 0.94 XPA (0.85) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19654076 0.94 XPA (0.85) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL22205249 0.92 XPA (1.00) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19644342 0.92 XPA (1.00) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19644341 0.92 XPA (1.00) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19654082 0.87 XPA (0.81) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL22463080 0.87 XPA (0.81) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19644175 0.87 XPA (1.00) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19644173 0.87 XPA (1.00) XPAMEN1APEX1KMT2ANTSR1
SCHEMBL19644185 0.87 XPA (1.00) XPAMEN1APEX1KMT2ANTSR1

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
EP-3684354-B1 XPA INHIBITOR COMPOUNDS AND THEIR USE UNIV INDIANA RES & TECH CORP (US) 2023-11-15 EP disclosed