SCHEMBL7452235

SCHEMBL7452235

O=S(=O)(CC(CCCNO)c1ncccn1)N1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MMP7 P09237 1/20 0.41
CYP3A4 P08684 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
TP53 P04637 1/20 0.35
ADAMTS4 O75173 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 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
SCHEMBL7451418 0.83 MMP7 (0.48) POLBMMP7CYP3A4MMP13MMP14
SCHEMBL5883424 0.80 MMP7 (0.53) POLBMMP7CYP3A4MMP13MMP14
SCHEMBL7453091 0.71 MMP7 (0.63) MMP7CYP3A4MMP13MMP14ADAMTS4
SCHEMBL5883992 0.69 MMP7 (0.79) POLBMMP7CYP3A4MMP13MMP14
SCHEMBL6647514 0.68 LMNA (0.40) POLBTP53KDM4EALDH1A1DRD2
SCHEMBL21484324 0.67 KDM4E (0.59) POLBCYP3A4MMP13MMP14ADAMTS4
SCHEMBL8304525 0.66 CYP3A4 (0.46) POLBMMP7CYP3A4MMP13MMP14
SCHEMBL6647886 0.66 MMP7 (0.41) MMP7CYP3A4MMP13MMP14TP53
SCHEMBL6786173 0.65 MMP13 (0.46) POLBCYP3A4MMP13MMP14ADAMTS4
SCHEMBL5717251 0.64 POLB (0.51) POLBMAPTKDM4EALDH1A1MEN1

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