SCHEMBL21449825

SCHEMBL21449825

O=C(O)c1ccc2c(c1)C(=O)C(c1ccc3cc(C(=O)OCCCN4C(=O)c5ccccc5C4=O)ccc3n1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21449819 0.95 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449815 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449809 0.91 MAPK1 (0.43) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449871 0.91 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449843 0.89 RXFP1 (0.45) ALDH1A1SMN1; SMN2MAPK1POLBHPGD
SCHEMBL21449808 0.88 MAPK1 (0.42) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449823 0.87 MAPK1 (0.43) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449811 0.86 MAPK1 (0.41) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449822 0.86 MAPK1 (0.43) ALDH1A1SMN1; SMN2MAPK1POLBPKM
SCHEMBL21449859 0.86 PDE10A (0.48) ALDH1A1SMN1; SMN2MAPK1POLBPKM

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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