SCHEMBL20840286

SCHEMBL20840286

CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)NCC3CCCCC3)c2)o1

nearest known ligand 0.93

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XPA P23025 14/20 0.93
EP300 Q09472 1/20 0.65
MEN1 O00255 2/20 0.60
APEX1 P27695 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PTPN1 P18031 1/20 0.59
GSK3A P49840 1/20 0.59
NTSR1 P30989 1/20 0.59
GALK1 P51570 1/20 0.59

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
SCHEMBL20847921 1.00 XPA (0.93) XPAEP300MEN1APEX1KMT2A
SCHEMBL20840287 1.00 XPA (0.93) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644002 0.96 XPA (1.00) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644519 0.96 XPA (1.00) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644003 0.96 XPA (1.00) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644222 0.94 XPA (1.00) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644204 0.94 XPA (1.00) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644205 0.94 XPA (1.00) XPAEP300MEN1APEX1KMT2A
SCHEMBL20840271 0.92 XPA (0.92) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644352 0.92 XPA (0.92) XPAEP300MEN1APEX1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684354-A1 XPA INHIBITOR COMPOUNDS AND THEIR USE Indiana University Research and Technology Corporation (US) 2020-07-29 EP disclosed
WO-2019060260-A1 XPA INHIBITOR COMPOUNDS AND THEIR USE INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-03-28 WO disclosed