SCHEMBL21449870

SCHEMBL21449870

O=C(OCCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc2c(c1)C(=O)C(c1ccc3cccc(N4C(=O)c5cc6ccc(Br)cc6cc5C4=O)c3n1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LPAR2 Q9HBW0 3/20 0.36
▸ HEXA P06865 2/20 0.34
▸ HEXB P07686 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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

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
SCHEMBL21449841 0.94 RXFP1 (0.40) RXFP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21449800 0.93 ALDH1A1 (0.40) RXFP1ALDH1A1HPGDSMN1; SMN2LPAR2
SCHEMBL21449872 0.91 RXFP1 (0.41) RXFP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21449875 0.91 RXFP1 (0.40) RXFP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21449830 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTPOLBGAA
SCHEMBL21449866 0.90 CA12 (0.38) RXFP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21449826 0.88 MAPK1 (0.41) RXFP1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL21449869 0.88 RXFP1 (0.40) RXFP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21449864 0.87 RXFP1 (0.39) RXFP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL21449824 0.86 CA12 (0.40) RXFP1ALDH1A1HPGDSMN1; SMN2MAPT

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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