SCHEMBL21449871

SCHEMBL21449871

O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)C(c1ccc3ccccc3n1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL21449859 0.95 PDE10A (0.48) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449819 0.92 MAPK1 (0.47) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449825 0.91 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449815 0.90 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449809 0.89 MAPK1 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449843 0.88 RXFP1 (0.45) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449862 0.87 MAPK1 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449808 0.86 MAPK1 (0.42) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449826 0.86 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT
SCHEMBL21449823 0.84 MAPK1 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1MAPT

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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