SCHEMBL7453091

SCHEMBL7453091

O=CN(O)CCCC(CS(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1)c1ncccn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.63
MMP13 P45452 4/20 0.48
CYP3A4 P08684 3/20 0.48
CXCR3 P49682 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 3/20 0.36
MMP14 P50281 3/20 0.35
ADAMTS4 O75173 2/20 0.35
KCNH2 Q12809 2/20 0.35
HSD17B10 Q99714 2/20 0.35
AKR1C3 P42330 1/20 0.35
CTSS P25774 2/20 0.34
RORC P51449 2/20 0.33
ADRB2 P07550 1/20 0.33
PANK3 Q9H999 1/20 0.33
MMP1 P03956 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL7451418 0.88 MMP7 (0.48) MMP7MMP13CYP3A4KDM4EALDH1A1
SCHEMBL6646114 0.85 MMP7 (0.46) MMP7MMP13CYP3A4KDM4EALDH1A1
SCHEMBL6648538 0.82 MMP7 (0.44) MMP7MMP13CYP3A4KDM4EALDH1A1
SCHEMBL6650057 0.79 MMP7 (0.40) MMP7MMP13CYP3A4KDM4EALDH1A1
SCHEMBL5883512 0.77 MMP7 (1.00) MMP7MMP13CYP3A4CXCR3KDM4E
SCHEMBL5883894 0.77 MMP7 (1.00) MMP7MMP13CYP3A4CXCR3KDM4E
SCHEMBL6645193 0.77 MMP7 (0.38) MMP7MMP13CYP3A4KDM4EALDH1A1
SCHEMBL7456863 0.75 ADAMTS4 (0.46) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL5883959 0.75 MMP7 (0.83) MMP7MMP13CYP3A4CXCR3KDM4E
SCHEMBL7363493 0.74 KDM4E (0.52) MMP7MMP13CYP3A4KDM4EALDH1A1

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-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 WO disclosed