SCHEMBL8083582

SCHEMBL8083582

N=C(N)NCCCCNC(=O)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.39
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.39
F7 P08709 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTBP1 P26599 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP8 P22894 1/20 0.36
WDR5 P61964 1/20 0.35
RBBP5 Q15291 1/20 0.35
DPY30 Q9C005 1/20 0.35
ASH2L Q9UBL3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL8083629 0.87 KDM1A (0.40) SPHK1KDM1AMAOBHTTSMN1; SMN2
SCHEMBL8095479 0.86 F2 (0.37) KDM1AMAOBF7PTBP1KMT2A
SCHEMBL8083610 0.82 MMP8 (0.54) SPHK1KMT2AL3MBTL1MMP8HPGD
SCHEMBL8083456 0.82 MMP8 (0.46) SPHK1MMP8HPGD
SCHEMBL8089921 0.82 MMP8 (0.48) SPHK1KMT2AMMP8
SCHEMBL8083488 0.81 MMP8 (0.45) SPHK1MMP8HPGD
SCHEMBL8083554 0.80 MMP8 (0.46) SPHK1SMN1; SMN2MMP8HPGD
SCHEMBL8098206 0.77 C3AR1 (0.35) KDM1AMAOBHTTSMN1; SMN2
SCHEMBL8095062 0.77 MMP8 (0.48) SPHK1SMN1; SMN2MMP8HPGD
SCHEMBL7433719 0.76 F2 (0.43) SPHK1MMP8

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP claimed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP claimed