SCHEMBL5555283

SCHEMBL5555283

CN(C)CCCNC(=O)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
EPHX2 P34913 3/20 0.63
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.55
MAPT P10636 1/20 0.54

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
SCHEMBL3210491 0.91 THRB (0.62) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL29811176 0.91 THRB (0.62) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL12629219 0.87 RAB9A (0.58) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL9809561 0.86 RAB9A (0.76) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL17822214 0.86 EPHX2 (0.75) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL3514768 0.85 THRB (0.71) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL9763664 0.85 EPHX2 (0.73) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL5483064 0.85 EPHX2 (0.73) RAB9AEPHX2KMT2AMEN1TDP1
SCHEMBL1499590 0.84 SRC (0.55) RAB9AKMT2AMEN1TDP1L3MBTL1
SCHEMBL29708225 0.84 HDAC3 (0.74) RAB9AEPHX2KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416140-A1 SULFONYLPIPERAZINYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2024-08-21 EP claimed
WO-2023061617-A1 SULFONYLPIPERAZINYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO claimed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO claimed
EP-4416140-A1 SULFONYLPIPERAZINYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2024-08-21 EP disclosed
WO-2023061617-A1 SULFONYLPIPERAZINYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed