SCHEMBL29913499

SCHEMBL29913499

O=C1NC(c2ccccc2)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 11/20 1.00
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 3/20 0.74
HSD17B10 Q99714 3/20 0.74
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
MAPK1 P28482 1/20 0.74
TNKS O95271 2/20 0.70
PARP3 Q9Y6F1 2/20 0.70
GAA P10253 2/20 0.68
MAPT P10636 1/20 0.68
PBRM1 Q86U86 2/20 0.60
HPGD P15428 2/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL5248973 1.00 TNKS2 (1.00) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6124101 0.89 TNKS2 (0.80) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6124107 0.89 TNKS2 (0.80) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6124214 0.89 TNKS2 (0.80) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL30996133 0.85 TNKS2 (0.74) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL30996130 0.85 TNKS2 (0.74) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL28838022 0.85 KMT2A (1.00) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL257093 0.85 TNKS2 (1.00) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL29913643 0.85 TNKS2 (1.00) TNKS2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL6124104 0.85 TNKS2 (0.73) TNKS2ALDH1A1KDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354556-B C (C)3Chiral ligand H containing symmetrical amide bond3L, preparation method and application 合肥工业大学 2024-07-09 CN claimed
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 claimed
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 claimed
CN-113354556-B C (C)3Chiral ligand H containing symmetrical amide bond3L, preparation method and application 合肥工业大学 2024-07-09 CN disclosed
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-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-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-115433134-B Catalytic enantioselective synthesis method of dihydroquinazolinone 哈尔滨工业大学(深圳) 2024-05-28 CN disclosed
CN-115160235-B 2, 3-dihydro-quinazoline-4 (1H) -ketone compound and ultrasonic synthesis method thereof 宜宾学院 2023-12-15 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
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
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
CN-114874448-B Preparation method and application of metal organic framework material with grading holes 中国科学技术大学 2023-04-21 CN disclosed
CN-115433134-A Catalytic enantioselective synthesis method of dihydro quinazolinone 哈尔滨工业大学(深圳) 2022-12-06 CN disclosed
CN-115160235-A 2, 3-dihydroquinazoline-4 (1H) -ketone compound and ultrasonic synthesis method thereof 宜宾学院 2022-10-11 CN disclosed