SCHEMBL21449867

SCHEMBL21449867

O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)C5CCCCC5C4=O)c3n1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ STAT3 P40763 1/20 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

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
SCHEMBL21449877 0.96 RXFP1 (0.38) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449854 0.93 ALDH1A1 (0.37) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449826 0.91 MAPK1 (0.41) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449874 0.90 ATM (0.39) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449861 0.89 ALDH1A1 (0.40) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449830 0.88 ALDH1A1 (0.41) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449855 0.88 ALDH1A1 (0.40) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449799 0.88 RXFP1 (0.38) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449856 0.88 ALDH1A1 (0.38) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2
SCHEMBL21449872 0.88 RXFP1 (0.41) ALDH1A1POLBMAPK1KMT2ASMN1; SMN2

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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