SCHEMBL29010900

SCHEMBL29010900

Cc1ccc(COc2ccccc2C2NC(=O)c3ccccc3N2)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 0.81
PBRM1 Q86U86 1/20 0.56
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 5/20 0.54
HSD17B10 Q99714 4/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
NPC1 O15118 1/20 0.54
EGFR P00533 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 1/20 0.49
PIK3CA P42336 1/20 0.45
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL29010889 0.90 TNKS2 (1.00) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29010888 0.89 TNKS2 (0.83) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29010899 0.88 TNKS2 (0.81) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29010776 0.88 TNKS2 (0.81) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29010780 0.87 TNKS2 (0.76) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29010779 0.81 TNKS2 (0.81) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28992907 0.80 ALDH1A1 (0.71) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30230638 0.80 ALDH1A1 (0.71) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010891 0.78 TNKS2 (0.83) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7670240 0.77 TNKS2 (0.65) TNKS2PBRM1KDM4EALDH1A1HPGD

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