SCHEMBL21449830

SCHEMBL21449830

O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)c5cc6ccccc6cc5C4=O)c3n1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL21449826 0.98 MAPK1 (0.41) ALDH1A1FNTAFNTBCA12CA1
SCHEMBL21449841 0.96 RXFP1 (0.40) ALDH1A1FNTAFNTBCA12CA1
SCHEMBL21449800 0.96 ALDH1A1 (0.40) ALDH1A1FNTAFNTBCA12CA1
SCHEMBL21449872 0.94 RXFP1 (0.41) ALDH1A1CA12CA1CA2CA4
SCHEMBL21449865 0.93 CA12 (0.42) ALDH1A1FNTAFNTBCA12CA1
SCHEMBL21449824 0.93 CA12 (0.40) ALDH1A1FNTAFNTBCA12CA1
SCHEMBL21449856 0.91 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL21449863 0.91 MAPT (0.39) ALDH1A1CA12CA1CA2CA4
SCHEMBL21449861 0.91 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA4
SCHEMBL21449870 0.90 RXFP1 (0.44) ALDH1A1FNTAFNTBCA12CA1

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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