SCHEMBL21449822

SCHEMBL21449822

O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc2nc(C3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HTT P42858 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
SCHEMBL21449819 0.91 MAPK1 (0.47) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449823 0.90 MAPK1 (0.43) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449820 0.90 MAPK1 (0.43) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449811 0.88 MAPK1 (0.41) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449825 0.86 ALDH1A1 (0.46) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449809 0.86 MAPK1 (0.43) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449815 0.85 ALDH1A1 (0.47) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449843 0.85 RXFP1 (0.45) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21449816 0.84 NAMPT (0.41) MEN1KMT2ARAB9A
SCHEMBL21449871 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1POLBSMN1; SMN2GAA

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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