SCHEMBL17590071

SCHEMBL17590071

C=C(OC(C)(C)C)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 1/20 0.46
▸ ME2 P23368 8/20 0.46
▸ ME1 P48163 8/20 0.46
▸ ME3 Q16798 8/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ TYR P14679 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA1 P00915 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
SCHEMBL7936728 0.88 GPR119 (0.53) MAPTGAALMNAALDH1A1TDP1
SCHEMBL381360 0.81 MAPT (0.68) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL13279526 0.78 MAPT (0.64) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL17550836 0.77 TRPC6 (0.44) MAPTLMNAALDH1A1GPR119
SCHEMBL9396856 0.77 MAPT (0.62) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL13281422 0.77 MAPT (0.62) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL13465510 0.76 GAA (0.56) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL13279578 0.75 MAPT (0.47) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL5573222 0.73 MAPT (0.76) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL7041242 0.73 MAPT (0.68) MAPTKDM4EGAALMNAALDH1A1

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-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 — — US disclosed
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