SCHEMBL6424909

SCHEMBL6424909

CCOc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
CYP1A2 P05177 2/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 5/20 0.65
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HTT P42858 1/20 0.65
MAPK1 P28482 1/20 0.65
NPC1 O15118 2/20 0.63
HPGD P15428 1/20 0.63
RAB9A P51151 1/20 0.63
FAAH O00519 1/20 0.59
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
SCHEMBL9312707 0.87 POLB (1.00) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL8693936 0.87 GAA (0.63) POLBALDH1A1FAAHTSHR
SCHEMBL12445438 0.86 POLB (0.83) POLBKMT2AMEN1CYP1A2LMNA
Fenacetinol SCHEMBL2850567 0.84 POLB (0.80) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL25086 0.84 POLB (0.80) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL2853774 0.83 POLB (0.83) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL5808300 0.83 POLB (0.77) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL9842944 0.83 POLB (0.77) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL5808296 0.83 POLB (0.77) POLBKMT2AMEN1CYP1A2LMNA
SCHEMBL29270204 0.83 POLB (0.77) POLBKMT2AMEN1CYP1A2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP disclosed
EP-1212056-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES The Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2002-06-12 EP disclosed
US-20020002144-A1 Methods and compositions for bisubstrate inhibitors of acetyltransferases THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2002-01-03 US disclosed
WO-2001012185-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-22 WO disclosed