SCHEMBL7358595

SCHEMBL7358595

O=CN(O)CCC(CS(=O)(=O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.38
CYP3A4 P08684 3/20 0.36
MMP13 P45452 3/20 0.36
MMP14 P50281 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
OGA O60502 1/20 0.33
ADAMTS4 O75173 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32
CTSS P25774 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30

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 0.85 MMP7 (0.46) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL7362584 0.80 GRM5 (0.35) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL4816479 0.79 MMP7 (0.51) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL4809675 0.77 MMP7 (0.45) MMP7CYP3A4MMP13MMP14ALDH1A1
SCHEMBL7363493 0.75 KDM4E (0.52) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL14252771 0.75 MMP7 (0.53) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL4809534 0.75 MMP13 (0.39) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL7456863 0.73 ADAMTS4 (0.46) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL14252769 0.73 CYP3A4 (0.48) MMP7CYP3A4MMP13MMP14KDM4E
SCHEMBL4812342 0.72 KDM4E (0.39) KDM4EALDH1A1MAPTOGAHSD17B10

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