SCHEMBL20840344

SCHEMBL20840344

CCOC(=O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XPA P23025 14/20 0.73
ERO1A Q96HE7 2/20 0.68
KDM1A O60341 1/20 0.68
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
EP300 Q09472 1/20 0.64
MEN1 O00255 2/20 0.63
APEX1 P27695 2/20 0.63
KMT2A Q03164 2/20 0.63
NTSR1 P30989 1/20 0.63
GALK1 P51570 1/20 0.63
CTSB P07858 1/20 0.58
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL20840345 1.00 XPA (0.73) XPAERO1AKDM1AMAOAMAOB
SCHEMBL22219633 1.00 XPA (0.73) XPAERO1AKDM1AMAOAMAOB
SCHEMBL19644385 0.90 XPA (0.88) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644527 0.90 XPA (0.88) XPAEP300MEN1APEX1KMT2A
SCHEMBL19644529 0.90 XPA (0.88) XPAEP300MEN1APEX1KMT2A
SCHEMBL20840309 0.90 ERO1A (0.77) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20840310 0.90 ERO1A (0.77) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20848009 0.90 ERO1A (0.77) XPAERO1AKDM1AMAOAMAOB
SCHEMBL22205250 0.89 XPA (0.71) XPAERO1AKDM1AMAOAMAOB
SCHEMBL20840285 0.89 XPA (0.71) XPAERO1AKDM1AMAOAMAOB

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