SCHEMBL8645992

SCHEMBL8645992

NC(=O)c1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 1/20 0.53
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
JAK2 O60674 1/20 0.49
HTT P42858 1/20 0.49
KLK7 P49862 1/20 0.49
GLA P06280 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
MEN1 O00255 4/20 0.47

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
SCHEMBL6716884 0.84 PDK1 (0.51) PDK1PDK2PDK3PDK4TP53
SCHEMBL432229 0.84 KCNK2 (0.55) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL3078843 0.82 KDM4E (0.72) KDM4EALDH1A1HPGDPDCD1CD274
SCHEMBL943096 0.82 PDK1 (0.71) ALDH1A1HPGDPOLBPDK1PDK2
SCHEMBL3591716 0.82 PDK1 (0.50) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL9478517 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4TP53
SCHEMBL5365142 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDPDCD1CD274
Trifluoroacetic Acid SCHEMBL3600528 0.80 SIRT2 (0.57) KDM4EALDH1A1HPGDPDCD1CD274
SCHEMBL159515 0.80 AGTR1 (0.50) KDM4EALDH1A1HPGDPDCD1CD274
SCHEMBL31128489 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDPDCD1CD274

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 11 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
CN-1293665-A New compounds and their use as positive AMPA receptor modulators NEUROSEARCH AS (DK) 2001-05-02 CN disclosed
EP-0545491-B1 Photographic silver halide colour materials KODAK LTD (GB) 1998-10-14 EP disclosed
EP-0565165-B1 Photographic silver halide colour materials KODAK LTD (GB) 1998-09-02 EP disclosed
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP disclosed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 WO disclosed
US-5415981-A Sulfohydrazide developer, heteroarylacetonitrile color coupler EASTMAN KODAK COMPANY (US) 1995-05-16 US disclosed
US-5284739-A Devloper and coupler present in drops of a high-boiling solvent; water pollution control EASTMAN KODAK COMPANY (US) 1994-02-08 US disclosed
EP-0565165-A1 Photographic silver halide colour materials KODAK LIMITED (GB) 1993-10-13 EP disclosed
EP-0545491-A1 Photographic silver halide colour materials KODAK LIMITED (GB) 1993-06-09 EP disclosed