SCHEMBL28558189

SCHEMBL28558189

CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.81
CA1 P00915 6/20 0.74
CA2 P00918 6/20 0.74
CA12 O43570 1/20 0.74
CA7 P43166 1/20 0.74
CA9 Q16790 1/20 0.74
ALDH1A1 P00352 8/20 0.70
ADORA2B P29275 4/20 0.70
POLB P06746 2/20 0.70
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
GAA P10253 1/20 0.59
HTT P42858 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
SCHEMBL5380810 0.91 DHFR (0.79) DHFRCA1CA2CA12CA7
SCHEMBL10113385 0.91 DHFR (0.79) DHFRCA1CA2CA12CA7
SCHEMBL28562281 0.90 DHFR (0.77) DHFRCA1CA2CA12CA7
SCHEMBL28555968 0.90 DHFR (0.77) DHFRCA1CA2CA12CA7
SCHEMBL28555966 0.90 DHFR (0.77) DHFRCA1CA2CA12CA7
SCHEMBL7690389 0.89 DHFR (1.00) DHFRCA1CA2CA12CA7
SCHEMBL3168404 0.88 CA1 (0.79) DHFRCA1CA2CA12CA7
SCHEMBL10112916 0.87 HSD17B10 (0.76) DHFRCA1CA2CA12CA7
SCHEMBL31705348 0.86 DHFR (0.72) DHFRCA1CA2CA12CA7
SCHEMBL28564562 0.86 DHFR (0.72) DHFRCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215108-A1 DUAL G9A/GSK-3ß INHIBITORS UNIVERSITAT DE BARCELONA (ES) 2025-10-16 WO claimed
WO-2025215108-A1 DUAL G9A/GSK-3ß INHIBITORS UNIVERSITAT DE BARCELONA (ES) 2025-10-16 WO disclosed
CN-112812066-B Synthesis method of dihydropyrimidinone compound 宜春学院 2023-04-25 CN disclosed
CN-110437100-B Preparation method and application of novel ionic salicylaldehyde Schiff base zirconium complex 山西医科大学 2022-03-11 CN disclosed
CN-112812066-A Synthesis method of dihydropyrimidinone compounds 宜春学院 2021-05-18 CN disclosed