SCHEMBL26546262

SCHEMBL26546262

c1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6ccc6ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ ENPP1 P22413 2/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ HPRT1 P00492 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32

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
SCHEMBL25088998 0.97 TDP1 (0.40) TDP1L3MBTL1CA12CA1CA2
SCHEMBL25089581 0.96 TDP1 (0.38) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26063635 0.96 TDP1 (0.38) TDP1L3MBTL1CA12CA1CA2
SCHEMBL25089379 0.96 TDP1 (0.38) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26057106 0.95 CA12 (0.37) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26056571 0.95 CA12 (0.37) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26057666 0.95 TDP1 (0.39) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26566660 0.95 CA12 (0.40) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26055984 0.94 TDP1 (0.36) TDP1L3MBTL1CA12CA1CA2
SCHEMBL26056968 0.94 L3MBTL1 (0.36) TDP1L3MBTL1CA12CA1CA2

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-2023195482-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-10-12 — — WO disclosed
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