SCHEMBL21449857

SCHEMBL21449857

O=C(OCCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)c5ccncc5C4=O)c3n1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HEXA P06865 1/20 0.34
▸ HEXB P07686 1/20 0.34

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
SCHEMBL21449872 0.93 RXFP1 (0.41) RXFP1ALDH1A1KDM4ELPAR2MAPT
SCHEMBL21449800 0.90 ALDH1A1 (0.40) RXFP1ALDH1A1LPAR2POLBGAA
SCHEMBL21449841 0.90 RXFP1 (0.40) RXFP1ALDH1A1KDM4ELPAR2MAPT
SCHEMBL21449826 0.90 MAPK1 (0.41) RXFP1ALDH1A1MAPTPOLBGAA
SCHEMBL21449803 0.89 RXFP1 (0.37) RXFP1ALDH1A1KDM4ELPAR2MAPT
SCHEMBL21449869 0.88 RXFP1 (0.40) RXFP1ALDH1A1KDM4ELPAR2MAPT
SCHEMBL21449830 0.88 ALDH1A1 (0.41) ALDH1A1MAPTPOLBGAASMN1; SMN2
SCHEMBL21449864 0.88 RXFP1 (0.39) RXFP1ALDH1A1KDM4ELPAR2MAPT
SCHEMBL21449805 0.87 RXFP1 (0.38) RXFP1ALDH1A1KDM4ELPAR2MAPT
SCHEMBL21449870 0.86 RXFP1 (0.44) RXFP1ALDH1A1KDM4ELPAR2MAPT

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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