SCHEMBL29010891

SCHEMBL29010891

Cc1ccc(COc2cccc(C3NC(=O)c4ccccc4N3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.83
EGFR P00533 1/20 0.60
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.48
MAOB P27338 4/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL29010903 0.91 TNKS2 (1.00) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL29010775 0.89 TNKS2 (0.83) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL29010778 0.89 TNKS2 (0.83) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL29010896 0.89 TNKS2 (0.83) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL29010909 0.88 TNKS2 (0.78) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL29010779 0.87 TNKS2 (0.81) TNKS2EGFRMAPTKDM4EALDH1A1
SCHEMBL30230638 0.81 ALDH1A1 (0.71) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL28992907 0.81 ALDH1A1 (0.71) TNKS2EGFRMAPTGAAKDM4E
SCHEMBL2821455 0.79 TNKS2 (0.72) TNKS2MAPTGAAKDM4EALDH1A1
SCHEMBL27925475 0.79 TNKS2 (0.72) TNKS2MAPTGAAKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178283-B 2-Phenyl-2, 3-dihydro-quinazolin-4 (1H) -one derivative, preparation and application thereof 武汉科技大学 2024-07-02 CN disclosed
CN-116178283-A 2-phenyl-2, 3-dihydro-quinazolin-4 (1H) -one derivative, preparation and application thereof 武汉科技大学 2023-05-30 CN disclosed