SCHEMBL21449842

SCHEMBL21449842

O=C(OCCCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc2nc(C3C(=O)c4ccccc4C3=O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LPAR2 Q9HBW0 4/20 0.45
▸ LPAR3 Q9UBY5 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HEXA P06865 2/20 0.42
▸ HEXB P07686 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL21449853 0.94 HPGD (0.45) MEN1KMT2AMAPK1HPGDHSD17B10
SCHEMBL21449814 0.89 HPGD (0.40) MEN1KMT2ARXFP1MAPK1HPGD
SCHEMBL21449821 0.87 HPGD (0.42) MEN1KMT2APDE10AMAPK1HPGD
SCHEMBL21449813 0.86 ALDH1A1 (0.43) RXFP1MAPK1HPGDHSD17B10ALDH1A1
SCHEMBL21449831 0.86 HPGD (0.41) MEN1KMT2AMAPK1HPGDHSD17B10
SCHEMBL21449818 0.86 HPGD (0.41) MAPK1HPGDHSD17B10ALDH1A1MAPT
SCHEMBL21449810 0.86 HSD17B10 (0.38) MEN1KMT2ALPAR2LPAR3RXFP1
SCHEMBL21449817 0.86 HPGD (0.38) MEN1KMT2ARXFP1MAPK1HPGD
SCHEMBL21449828 0.86 ALDH1A1 (0.43) MEN1KMT2AMAPK1HPGDHSD17B10
SCHEMBL21449859 0.84 PDE10A (0.48) MEN1KMT2ALPAR2RXFP1HEXA

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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