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
SCHEMBL11901291 0.70 — —
SCHEMBL4278501 0.70 LMNA (0.39) GAAHSD17B10MAPTNPC1RAB9A
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
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