SCHEMBL26527553

SCHEMBL26527553

CC(C)(C)OC(=O)NCc1ccc(-c2nc3n(n2)CCC(OC(F)(F)F)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ HPN P05981 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL26527249 0.90 NAMPT (0.42) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26527978 0.88 NAMPT (0.44) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26526412 0.87 NAMPT (0.42) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26527432 0.86 NAMPT (0.40) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26527383 0.85 NAMPT (0.44) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26528714 0.85 NAMPT (0.44) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26526564 0.85 NAMPT (0.44) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26528084 0.85 NAMPT (0.41) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26527335 0.85 NAMPT (0.45) NAMPTROCK2GPR119HDAC1L3MBTL1
SCHEMBL26527148 0.84 NAMPT (0.41) NAMPTROCK2GPR119HDAC1L3MBTL1

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
WO-2024089170-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-05-02 — — WO disclosed
WO-2023073090-A1 IMIDAZOPYRIDINE AMIDES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2023-05-04 — — WO disclosed
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