SCHEMBL4058489

SCHEMBL4058489

Cc1ccc(Nc2ccc(N3CCOCC3)cc2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
MAPK1 P28482 5/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
IGF1R P08069 1/20 0.42
PKMYT1 Q99640 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PTK2B Q14289 1/20 0.41
JAK2 O60674 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4058495 0.81 RAB9A (0.61) MAPTMAPK1TP53GAAALDH1A1
SCHEMBL789351 0.80 MAPT (0.47) MAPTMAPK1TP53GAAALDH1A1
SCHEMBL20836396 0.77 MAPT (0.40) MAPTMAPK1GAAALDH1A1SMN1; SMN2
SCHEMBL26165625 0.76 ALDH1A1 (0.54) MAPTTP53GAAALDH1A1SMN1; SMN2
SCHEMBL789720 0.75 LGMN (0.44) MAPTMAPK1TP53GAAALDH1A1
SCHEMBL7980595 0.74 MAPT (0.62) MAPTMAPK1TP53GAAALDH1A1
SCHEMBL17548072 0.74 LGMN (0.43) MAPTMAPK1TP53GAAALDH1A1
SCHEMBL17637634 0.74 LGMN (0.43) MAPTMAPK1TP53GAAALDH1A1
SCHEMBL138606 0.73 LPL (0.47) MAPTMAPK1TP53ALDH1A1SMN1; SMN2
SCHEMBL2083166 0.73 CA1 (0.37) MAPK1

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-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 WO disclosed