SCHEMBL28795018

SCHEMBL28795018

CCC(CC)(CN)NC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
ALDH1A1 P00352 4/20 0.48
NFKB1 P19838 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
ATM Q13315 1/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC1 Q13547 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL27872126 0.81 LMNA (0.45) ALDH1A1SMN1; SMN2POLBCYP3A4BLM
SCHEMBL5506262 0.80 NAMPT (0.60) CACNA1BAPBA1ALDH1A1NFKB1KCNH2
SCHEMBL5939832 0.80 POLB (0.51) ALDH1A1SMN1; SMN2POLBCYP3A4HDAC1
Cp1-1189 SCHEMBL154117 0.76 CACNA1B (0.61) CACNA1BAPBA1ALDH1A1SMN1; SMN2POLB
SCHEMBL2924725 0.76 CACNA1B (0.65) CACNA1BAPBA1ALDH1A1NFKB1KCNH2
Hydrochloric Acid SCHEMBL1417877 0.74 CACNA1B (0.62) CACNA1BAPBA1ALDH1A1NFKB1KCNH2
SCHEMBL28795015 0.73 ALDH1A1 (0.55) CACNA1BAPBA1ALDH1A1NFKB1KCNH2
SCHEMBL13210697 0.73 CACNA1B (0.85) CACNA1BAPBA1ALDH1A1SMN1; SMN2POLB
SCHEMBL12368426 0.73 ALDH1A1 (0.65) CACNA1BAPBA1ALDH1A1NFKB1KCNH2
SCHEMBL11310488 0.72 CACNA1B (0.65) CACNA1BAPBA1ALDH1A1SMN1; SMN2POLB

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
CN-102449165-B Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF 2014-07-09 CN disclosed
CN-102449165-A Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF 2012-05-09 CN disclosed