SCHEMBL21449865

SCHEMBL21449865

O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)c5cc6ccc(S(=O)(=O)O)cc6cc5C4=O)c3n1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.42
▸ CA1 P00915 8/20 0.42
▸ CA2 P00918 8/20 0.42
▸ CA4 P22748 8/20 0.42
▸ CA9 Q16790 8/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL21449866 0.96 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL21449830 0.93 ALDH1A1 (0.41) CA12CA1CA2CA4CA9
SCHEMBL21449826 0.91 MAPK1 (0.41) CA12CA1CA2CA4CA9
SCHEMBL21449841 0.89 RXFP1 (0.40) CA12CA1CA2CA4CA9
SCHEMBL21449800 0.89 ALDH1A1 (0.40) CA12CA1CA2CA4CA9
SCHEMBL21449872 0.88 RXFP1 (0.41) CA12CA1CA2CA4CA9
SCHEMBL21449858 0.86 CA12 (0.37) CA12CA1CA2CA4CA9
SCHEMBL21449824 0.86 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL21449870 0.85 RXFP1 (0.44) CA12CA1CA2CA4CA9
SCHEMBL21449856 0.85 ALDH1A1 (0.38) CA12CA1CA2CA4CA9

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-2019194381-A1 QUINOPHTHALONE-BASED COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME, PHOTOSENSITIVE MATERIAL, COLOR FILTER, AND DISPLAY DEVICE 주식회사 엘지화학 2019-10-10 — — WO disclosed
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