SCHEMBL18821769

SCHEMBL18821769

Nc1ccc(N=Nc2ccc(N=Nc3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ PKM P14618 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ CA12 O43570 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ TYR P14679 1/20 0.41
▸ CYP2A6 P11509 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH5A1 P51649 1/20 0.41
▸ ABAT P80404 1/20 0.41
▸ APP P05067 2/20 0.39
▸ ALDH1A1 P00352 4/20 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
SCHEMBL13858891 1.00 MAPT (0.64) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL5469857 0.88 CYP2A6 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL3074403 0.88 CYP2A6 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL28553043 0.85 CYP2A6 (0.52) MAPTMEN1KMT2ATDP1TYR
SCHEMBL214899 0.85 — —
SCHEMBL28226740 0.85 CYP2A6 (0.52) MAPTMEN1KMT2ATDP1TYR
SCHEMBL28362581 0.83 CYP2A6 (0.50) MAPTMEN1KMT2ATDP1TYR
Hydrochloric Acid SCHEMBL28738883 0.83 CYP2A6 (0.50) MAPTMEN1KMT2ATDP1TYR
SCHEMBL27952608 0.83 CYP2A6 (0.50) MAPTMEN1KMT2ATDP1TYR
SCHEMBL21242751 0.81 MAPT (0.70) MAPTRAB9AMEN1KMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005960-B2 Composition and polarizing film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-06-26 — — US disclosed
US-20170121605-A1 COMPOSITION AND POLARIZING FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 — — US disclosed
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