SCHEMBL13734656

SCHEMBL13734656

CC(C)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 11/20 0.81
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
KDM4E B2RXH2 3/20 0.80
USP2 O75604 2/20 0.80
HTT P42858 2/20 0.80
NPC1 O15118 2/20 0.80
POLB P06746 1/20 0.80
RECQL P46063 1/20 0.80
RAB9A P51151 1/20 0.80
BLM P54132 1/20 0.80
ATM Q13315 1/20 0.70
UHRF1 Q96T88 2/20 0.66
MYC P01106 1/20 0.64
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
RAD52 P43351 1/20 0.57

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
SCHEMBL13736177 0.92 APEX1 (0.80) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL1494905 0.90 APEX1 (1.00) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13735656 0.88 APEX1 (0.83) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13832373 0.87 APEX1 (1.00) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL23528082 0.86 APEX1 (0.80) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL18285885 0.86 APEX1 (0.80) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13832370 0.86 APEX1 (0.92) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL18285943 0.86 APEX1 (0.78) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL18285877 0.85 APEX1 (0.80) APEX1MEN1KMT2AKDM4EUSP2
SCHEMBL13735474 0.85 APEX1 (1.00) APEX1MEN1KMT2AKDM4EUSP2

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
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO disclosed
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO disclosed