SCHEMBL29010903

SCHEMBL29010903

O=C1NC(c2cccc(OCc3ccccc3)c2)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 1.00
EGFR P00533 1/20 0.62
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM5 P41594 1/20 0.49
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48

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
SCHEMBL29010778 0.91 TNKS2 (0.83) TNKS2EGFRMAPTGAAKMT2A
SCHEMBL29010896 0.91 TNKS2 (0.83) TNKS2EGFRMAPTGAAKMT2A
SCHEMBL29010891 0.91 TNKS2 (0.83) TNKS2EGFRMAPTGAAKMT2A
SCHEMBL29010775 0.91 TNKS2 (0.83) TNKS2EGFRMAPTGAAKMT2A
SCHEMBL29010909 0.88 TNKS2 (0.78) TNKS2EGFRMAPTGAAKMT2A
SCHEMBL29010783 0.86 TNKS2 (1.00) TNKS2EGFRMAPTKMT2AKDM4E
SCHEMBL8252630 0.81 TNKS2 (0.67) TNKS2GRM5MAOAMAOB
SCHEMBL5248973 0.76 TNKS2 (1.00) TNKS2MAPTGAAKMT2AKDM4E
SCHEMBL29913499 0.76 TNKS2 (1.00) TNKS2MAPTGAAKMT2AKDM4E
SCHEMBL6124226 0.76 TNKS2 (0.73) TNKS2MAPTGAAKMT2AKDM4E

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