SCHEMBL30932736

SCHEMBL30932736

COC(=O)c1cc(Cl)ccc1NC(=O)C1(C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
ABL1 P00519 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BDKRB1 P46663 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 2/20 0.39
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
SERPINE1 P05121 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38

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
SCHEMBL27954740 1.00 PDK2 (0.44) PDK2ABL1KDM4EHSD17B10MEN1
SCHEMBL27954826 0.86 KDM4E (0.55) KDM4EHSD17B10SERPINE1KCNK2KCNK10
SCHEMBL5928677 0.75 KDM4E (0.71) ABL1KDM4EHSD17B10MEN1KMT2A
SCHEMBL29293882 0.73 ABL1 (0.43) ABL1KDM4EHSD17B10MEN1KMT2A
SCHEMBL418801 0.72 SERPINE1 (0.52) MEN1KMT2ARXFP1SERPINE1KCNK2
SCHEMBL422465 0.72 RXFP1 (0.39) ABL1KDM4EHSD17B10MEN1KMT2A
SCHEMBL24269577 0.72 ATR (0.53) ABL1KDM4EHSD17B10MEN1KMT2A
SCHEMBL15635249 0.72 ABL1 (0.48) PDK2ABL1KDM4EHSD17B10MEN1
SCHEMBL8430233 0.72 ABL1 (0.48) PDK2ABL1KDM4EHSD17B10MEN1
SCHEMBL4358899 0.72 KDM4E (0.67) ABL1KDM4EHSD17B10MEN1KMT2A

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
EP-4622959-A1 2-AMINO-N-(4-AMINO-3,4-DIOXO-1-(2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)BENZAMIDE DERIVATIVES AS PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION Merck Sharp & Dohme LLC (US) 2025-10-01 EP disclosed
WO-2024112621-A1 2-AMINO-N-(4-AMINO-3,4-DIOXO-1-(2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)BENZAMIDE DERIVATIVES AS PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2024-05-30 WO disclosed