SCHEMBL22299850

SCHEMBL22299850

N#Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=C/c4ccccc4O)c4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ POLB P06746 3/20 0.45
▸ MAPT P10636 7/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CA1 P00915 1/20 0.39

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
SCHEMBL22299939 0.92 MAPT (0.44) CA12CA2CA9SIRT2L3MBTL1
SCHEMBL3365845 0.81 SIRT2 (0.73) CA12CA2CA9SIRT2L3MBTL1
SCHEMBL3365850 0.81 SIRT2 (0.73) CA12CA2CA9SIRT2L3MBTL1
SCHEMBL22299942 0.80 SIRT2 (0.48) CA12CA2CA9SIRT2L3MBTL1
Lithium Ion SCHEMBL3396856 0.80 SIRT2 (0.71) CA12CA2CA9SIRT2L3MBTL1
SCHEMBL22299838 0.78 MEN1 (0.38) CA12CA2CA9L3MBTL1MAPT
SCHEMBL22299856 0.75 MAPT (0.46) CA12CA2CA9SIRT2L3MBTL1
SCHEMBL11135305 0.75 ALDH1A1 (0.46) CA12CA2CA9L3MBTL1POLB
SCHEMBL22299733 0.75 KIF11 (0.41) L3MBTL1POLBMAPTNPC1RAB9A
SCHEMBL9648762 0.75 ALDH1A1 (0.47) CA12CA2CA9L3MBTL1POLB

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-2020156832-A1 DICHROIC AZO-AZOMETHINE DYES FOR LIQUID CRYSTAL COMPOSITIONS BASF SE (DE) 2020-08-06 — — WO disclosed
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