SCHEMBL4017380

SCHEMBL4017380

CCOc1cc(N)n[nH]1.Nc1cc(O)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 6/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.31
ALPL P05186 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL3020319 0.89
SCHEMBL64373 0.79
Ammonia Solution, Strong SCHEMBL27855657 0.77
SCHEMBL4075899 0.77 HSD17B10 (0.41) GAAHSD17B10MAPTNPC1RAB9A
SCHEMBL9150387 0.72
SCHEMBL31080659 0.71 GAA (0.40) GAAHSD17B10MAPTNPC1RAB9A
SCHEMBL15467909 0.70 HCAR2 (0.56) ALPL
SCHEMBL4278501 0.70 LMNA (0.39) GAAHSD17B10MAPTNPC1RAB9A
SCHEMBL11901291 0.70
SCHEMBL161724 0.69

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-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 WO disclosed