SCHEMBL6792850

SCHEMBL6792850

O=C(O)CS(=O)(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 4/20 0.45
USP5 P45974 1/20 0.44
MAPT P10636 3/20 0.44
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.42
MMP13 P45452 5/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP12 P39900 3/20 0.41
CHRM2 P08172 1/20 0.41
MMP3 P08254 1/20 0.41
MMP14 P50281 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27576284 0.87 MAPT (0.47) SMN1; SMN2HTTRECQLALDH1A1MAPT
SCHEMBL6098631 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HTTRECQLALDH1A1MAPT
SCHEMBL6095340 0.80 SMN1; SMN2 (0.54) SMN1; SMN2HTTRECQLALDH1A1MAPT
SCHEMBL6094119 0.80 MMP13 (0.57) EPHX2MMP13MMP12MMP14
SCHEMBL6096540 0.80 MMP13 (0.57) USP5EPHX2MMP13MMP12MMP14
SCHEMBL6136613 0.78 CYP1A2 (0.50) HTTALDH1A1MAPTEPHX2POLB
SCHEMBL6097192 0.75 SMN1; SMN2 (0.40) SMN1; SMN2HTTRECQLALDH1A1MAPT
SCHEMBL9014017 0.75 ALDH1A1 (0.55) ALDH1A1MAPTEPHX2LMNAPOLB
SCHEMBL11044966 0.74 EPHX2 (0.54) SMN1; SMN2ALDH1A1MAPTEPHX2LMNA
SCHEMBL16532717 0.74 SIGMAR1 (0.45) SMN1; SMN2HTTRECQLALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800646-B1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-10-05 US disclosed
US-6492367-B1 Sulfamato hydroxamic acid metalloprotease inhibitor G. D. SEARLE & COMPANY 2002-12-10 US disclosed
US-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed