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Sugi Predict / Compounds / SCHEMBL20847990

SCHEMBL20847990

SCHEMBL20847990

CCOC(=O)c1cccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(I)c(C(=O)NCc5ccc(F)cc5)c4)o3)C2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XPA P23025 16/20 0.72
▸ MEN1 O00255 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ GALK1 P51570 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GSK3A P49840 1/20 0.49
▸ EP300 Q09472 1/20 0.49
▸ PTPN1 P18031 1/20 0.48

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
SCHEMBL19654559 0.92 XPA (0.85) XPAMEN1APEX1NTSR1GALK1
SCHEMBL29388794 0.92 XPA (0.85) XPAMEN1APEX1NTSR1GALK1
SCHEMBL29524572 0.91 XPA (0.73) XPAMEN1APEX1NTSR1GALK1
SCHEMBL20840312 0.85 XPA (0.73) XPAMEN1APEX1NTSR1GALK1
SCHEMBL20840313 0.85 XPA (0.73) XPAMEN1APEX1NTSR1GALK1
SCHEMBL29385900 0.85 XPA (0.85) XPAMEN1APEX1NTSR1GALK1
SCHEMBL19644469 0.84 XPA (1.00) XPAMEN1APEX1NTSR1GALK1
SCHEMBL19644209 0.84 XPA (1.00) XPAMEN1APEX1NTSR1GALK1
SCHEMBL19644210 0.84 XPA (1.00) XPAMEN1APEX1NTSR1GALK1
SCHEMBL29387909 0.83 XPA (0.83) XPAMEN1APEX1NTSR1GALK1

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-B1 XPA INHIBITOR COMPOUNDS AND THEIR USE UNIV INDIANA RES & TECH CORP (US) 2023-11-15 — — EP disclosed
WO-2019060260-A1 XPA INHIBITOR COMPOUNDS AND THEIR USE INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-03-28 — — WO disclosed