SCHEMBL7363493

SCHEMBL7363493

O=CN(O)CCC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.48
MMP7 P09237 1/20 0.46
CYP3A4 P08684 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CTSS P25774 4/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP30 Q70CQ3 1/20 0.39
HTR1A P08908 1/20 0.38
POLB P06746 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
SCHEMBL7360833 0.77 MMP7 (0.46) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL12463849 0.76 MMP7 (0.61) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL12463845 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL7358595 0.75 MMP7 (0.38) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL2156392 0.75 KDM4E (0.55) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL4816679 0.74 MMP7 (0.61) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL14252763 0.74 MMP7 (0.61) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL5504337 0.74 KDM4E (0.57) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL7453091 0.74 MMP7 (0.63) KDM4EALDH1A1MAPTHSD17B10MMP7
SCHEMBL2155256 0.72 KDM4E (0.55) KDM4EALDH1A1MAPTHSD17B10MMP7

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-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 WO disclosed