SCHEMBL29010889

SCHEMBL29010889

O=C1NC(c2ccccc2OCc2ccccc2)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 10/20 1.00
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
PBRM1 Q86U86 1/20 0.54
EGFR P00533 1/20 0.53
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 2/20 0.47
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
CYP1A2 P05177 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL29010888 0.91 TNKS2 (0.83) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010776 0.90 TNKS2 (0.81) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010900 0.90 TNKS2 (0.81) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010899 0.90 TNKS2 (0.81) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010780 0.87 TNKS2 (0.76) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7670240 0.79 TNKS2 (0.65) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13604402 0.79 TNKS2 (0.64) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29010783 0.78 TNKS2 (1.00) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30230224 0.78 TNKS2 (0.64) TNKS2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28992949 0.77 ALDH1A1 (0.76) TNKS2KDM4EALDH1A1HPGDHSD17B10

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