SCHEMBL5757091

SCHEMBL5757091

CCc1ccccc1NC(=O)c1cc(C)c(C)n(C2CCCCC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 4/20 0.46
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL5759227 0.80 HPGD (0.53) MAPTKMT2ALMNACNR2CNR1
SCHEMBL2736780 0.79 CNR1 (0.57) KMT2ALMNACNR2CNR1ALDH1A1
SCHEMBL11588063 0.70 SLC16A3 (0.66) MAPTKMT2ALMNAALDH1A1HSD17B10
SCHEMBL8300495 0.68 KMT2A (0.65) KMT2ALMNAALDH1A1HSD17B10HPGD
SCHEMBL5760754 0.66 LMNA (0.43) KMT2ALMNACNR2CNR1ALDH1A1
SCHEMBL2914620 0.65 KCNK3 (0.68) MAPTKMT2ALMNAALDH1A1HPGD
SCHEMBL29839397 0.65 ALDH1A1 (0.47) MAPTKMT2ALMNAALDH1A1HSD17B10
SCHEMBL22729752 0.65 ALDH1A1 (0.47) MAPTKMT2ALMNAALDH1A1HSD17B10
SCHEMBL23643039 0.65 KMT2A (0.60) MAPTKMT2AALDH1A1GAAPOLB
SCHEMBL7183194 0.65 MAPT (0.55) MAPTKMT2ALMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP claimed