SCHEMBL13734638

SCHEMBL13734638

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 13/20 1.00
UHRF1 Q96T88 4/20 0.88
USP2 O75604 2/20 0.87
ATM Q13315 1/20 0.87
KDM4E B2RXH2 2/20 0.86
MEN1 O00255 2/20 0.86
HTT P42858 2/20 0.86
KMT2A Q03164 2/20 0.86
NPC1 O15118 1/20 0.86
POLB P06746 1/20 0.86
RECQL P46063 1/20 0.86
RAB9A P51151 1/20 0.86
BLM P54132 1/20 0.86
MYC P01106 1/20 0.68
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 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
SCHEMBL1494905 0.93 APEX1 (1.00) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13735474 0.89 APEX1 (1.00) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13833642 0.86 APEX1 (0.76) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13734396 0.86 APEX1 (1.00) APEX1UHRF1USP2ATMKDM4E
Hydrochloric Acid SCHEMBL14777718 0.85 APEX1 (0.98) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13833663 0.84 APEX1 (0.74) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13735042 0.84 APEX1 (1.00) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13735656 0.84 APEX1 (0.83) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13736000 0.83 KDM4E (0.81) APEX1UHRF1USP2ATMKDM4E
SCHEMBL13734656 0.83 APEX1 (0.81) APEX1UHRF1USP2ATMKDM4E

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