SCHEMBL18821708

SCHEMBL18821708

CCCOc1ccc(N=Nc2ccc(N=Nc3ccc(C(=O)OCC)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ THRB P10828 1/20 0.53
▸ PRSS1 P07477 2/20 0.52
▸ ACR P10323 2/20 0.52
▸ PLK1 P53350 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ ADRB3 P13945 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ TBXAS1 P24557 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ ESR1 P03372 1/20 0.50

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
SCHEMBL950916 0.91 L3MBTL1 (0.66) MAPTL3MBTL1TDP1THRBPLK1
SCHEMBL6608311 0.86 KCNH2 (0.64) MAPTL3MBTL1TDP1THRBPLK1
SCHEMBL3080726 0.86 MAPT (0.75) MAPTNPC1RAB9AL3MBTL1TDP1
SCHEMBL3080728 0.86 MAPT (0.75) MAPTNPC1RAB9AL3MBTL1TDP1
SCHEMBL5166263 0.84 TDP1 (0.66) MAPTL3MBTL1TDP1ALDH1A1KCNH2
SCHEMBL6701399 0.84 TDP1 (0.74) MAPTRAB9AL3MBTL1TDP1ALDH1A1
SCHEMBL18806580 0.83 L3MBTL1 (0.64) MAPTNPC1RAB9AL3MBTL1TDP1
SCHEMBL4363022 0.82 ALDH1A1 (0.68) MAPTL3MBTL1TDP1THRBPLK1
SCHEMBL5218267 0.81 TSHR (0.66) MAPTNPC1RAB9AL3MBTL1TDP1
Benzene SCHEMBL27936904 0.81 TDP1 (0.67) MAPTRAB9AL3MBTL1TDP1KCNH2

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-20170121605-A1 COMPOSITION AND POLARIZING FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 — — US disclosed
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