SCHEMBL16404168

SCHEMBL16404168

CCOc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.51
ATP4B P51164 2/20 0.51
CDC25A P30304 3/20 0.44
CDC25B P30305 3/20 0.44
CDC25C P30307 3/20 0.44
DUSP3 P51452 3/20 0.44
SREBF2 Q12772 1/20 0.43
EIF4E P06730 2/20 0.43
SCN9A Q15858 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40

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
SCHEMBL14224938 0.90 CDC25A (0.53) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14224937 0.90 ATP4A (0.53) ATP4AATP4BSREBF2EIF4EMAPT
SCHEMBL14224966 0.85 ATP4A (0.56) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14224914 0.84 HPGD (0.50) ATP4AATP4BSCN9AMAPTGAA
SCHEMBL14224939 0.83 ATP4A (0.61) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL16404137 0.83 ATP4A (0.56) ATP4AATP4BEIF4EMAPTGAA
SCHEMBL14224947 0.83 MAPK1 (0.59) ATP4AATP4BEIF4EMAPTNPC1
SCHEMBL16404108 0.83 ATP4A (0.56) ATP4AATP4BEIF4EMAPTNPC1
SCHEMBL14315466 0.83 ATP4A (0.58) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL16404008 0.82 ATP4A (0.60) ATP4AATP4BCDC25ACDC25BCDC25C

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed