SCHEMBL21449854

SCHEMBL21449854

O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)C5CC=CCC5C4=O)c3n1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21449799 0.96 RXFP1 (0.38) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449867 0.93 ALDH1A1 (0.39) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449826 0.91 MAPK1 (0.41) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449830 0.88 ALDH1A1 (0.41) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449874 0.88 ATM (0.39) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449855 0.88 ALDH1A1 (0.40) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449877 0.88 RXFP1 (0.38) ALDH1A1POLBMAPK1MAPTSMN1; SMN2
SCHEMBL21449856 0.88 ALDH1A1 (0.38) ALDH1A1POLBMAPK1DRD3HRH3
SCHEMBL21449872 0.88 RXFP1 (0.41) ALDH1A1POLBMAPK1MAPTTSHR
SCHEMBL21449861 0.87 ALDH1A1 (0.40) ALDH1A1POLBMAPK1DRD3HRH3

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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