SCHEMBL2040358

SCHEMBL2040358

CC(C)Cn1c(C(NC(=O)O)C(C)(C)C)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
APAF1 O14727 1/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2042201 0.88 NPSR1 (0.55) LMNAGAAALDH1A1KDM4ERAB9A
SCHEMBL2043288 0.86 GAA (0.58) LMNAGAAALDH1A1TSHRHDAC1
SCHEMBL2040172 0.86 ALDH1A1 (0.52) LMNAALDH1A1KDM4EHTTHPGD
SCHEMBL2042632 0.83 HPGD (0.56) LMNAGAAALDH1A1KDM4ENPC1
SCHEMBL5451784 0.82 LMNA (0.42) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL2039016 0.81 ALDH1A1 (0.46) GAAALDH1A1KDM4EHTTTSHR
SCHEMBL5459030 0.79 TLR7 (0.51) LMNA
SCHEMBL2043795 0.75 ACSS2 (0.49) GAAKDM4EHTTRAB9AHPGD
SCHEMBL18250343 0.74 LMNA (0.65) LMNAGAAALDH1A1KDM4EHTT
SCHEMBL2041269 0.74 GAA (0.44) GAAHDAC1HDAC6MAPTNPSR1

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed