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SCHEMBL20847992

SCHEMBL20847992

COc1cccc(NC(=O)c2cc(-c3ccc(/C=C4\C(=O)N(c5cccc(C6=NNNN6)c5)N=C4C)o3)ccc2Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XPA P23025 17/20 0.76
▸ EP300 Q09472 1/20 0.57
▸ PTPN1 P18031 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL19644175 0.86 XPA (1.00) XPAEP300PTPN1KDM4EMEN1
SCHEMBL19644173 0.86 XPA (1.00) XPAEP300PTPN1KDM4EMEN1
SCHEMBL19644185 0.86 XPA (1.00) XPAEP300PTPN1KDM4EMEN1
SCHEMBL19644258 0.86 XPA (0.76) XPAEP300PTPN1KDM4EMEN1
SCHEMBL19644259 0.86 XPA (0.76) XPAEP300PTPN1KDM4EMEN1
SCHEMBL22205251 0.85 XPA (0.80) XPAEP300PTPN1KDM4EMEN1
SCHEMBL19653349 0.85 XPA (0.80) XPAEP300PTPN1KDM4EMEN1
SCHEMBL22205249 0.84 XPA (1.00) XPAEP300KDM4EMEN1POLB
SCHEMBL19644342 0.84 XPA (1.00) XPAEP300KDM4EMEN1POLB
SCHEMBL19644341 0.84 XPA (1.00) XPAEP300KDM4EMEN1POLB

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-2019060260-A1 XPA INHIBITOR COMPOUNDS AND THEIR USE INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-03-28 — — WO disclosed