SCHEMBL13735656

SCHEMBL13735656

CC(C)N1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 10/20 0.83
KMT2A Q03164 4/20 0.81
MEN1 O00255 3/20 0.81
USP2 O75604 2/20 0.81
KDM4E B2RXH2 2/20 0.81
HTT P42858 2/20 0.81
NPC1 O15118 1/20 0.81
POLB P06746 1/20 0.81
RECQL P46063 1/20 0.81
RAB9A P51151 1/20 0.81
BLM P54132 1/20 0.81
ATM Q13315 1/20 0.71
UHRF1 Q96T88 2/20 0.67
MYC P01106 1/20 0.65
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
RAD52 P43351 1/20 0.60
TP53 P04637 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.58

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
SCHEMBL1495163 0.93 APEX1 (0.77) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL13058121 0.92 APEX1 (0.76) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL3751792 0.91 APEX1 (0.75) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL1494905 0.91 APEX1 (1.00) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL398960 0.89 APEX1 (0.74) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL13833618 0.89 APEX1 (0.80) APEX1KMT2AMEN1USP2KDM4E
Hydrochloric Acid SCHEMBL396290 0.88 APEX1 (0.74) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL13832373 0.88 APEX1 (1.00) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL13734656 0.88 APEX1 (0.81) APEX1KMT2AMEN1USP2KDM4E
SCHEMBL13832447 0.88 APEX1 (0.77) APEX1KMT2AMEN1USP2KDM4E

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