SCHEMBL7360833

SCHEMBL7360833

O=CN(O)CCC(CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.46
CYP3A4 P08684 3/20 0.44
MMP13 P45452 3/20 0.44
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
PANK3 Q9H999 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
MMP14 P50281 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
CHRM1 P11229 1/20 0.35
ADAMTS4 O75173 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DEGS1 O15121 1/20 0.34

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
SCHEMBL7456863 0.86 ADAMTS4 (0.46) MMP7CYP3A4MMP13GPR119MMP14
SCHEMBL7358595 0.85 MMP7 (0.38) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL7155176 0.78 PANK3 (0.44) MMP7ALDH1A1KDM4EMAPTPANK3
SCHEMBL4818308 0.78 MMP7 (0.60) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL7363493 0.77 KDM4E (0.52) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL14252766 0.77 MMP7 (0.65) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL14252772 0.76 MMP7 (0.49) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL14252796 0.76 MMP7 (0.49) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL14252770 0.76 MMP7 (0.53) MMP7CYP3A4MMP13ALDH1A1KDM4E
SCHEMBL12463859 0.76 MMP7 (0.59) MMP7CYP3A4MMP13ALDH1A1KDM4E

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