SCHEMBL6584461

SCHEMBL6584461

COC(=O)CS(=O)(=O)N1CC=C(c2ccc(-c3ccncc3)c(C)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.65
MMP3 P08254 12/20 0.65
CCNT1 O60563 6/20 0.40
CDK9 P50750 6/20 0.40
CYP46A1 Q9Y6A2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6586576 0.90 MMP2 (0.80) MMP2MMP3L3MBTL1
SCHEMBL6584898 0.90 MMP2 (0.65) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6589722 0.89 MMP3 (0.81) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6590619 0.85 MMP2 (0.65) MMP2MMP3CCNT1CDK9
SCHEMBL6590460 0.85 MMP2 (0.72) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6587353 0.85 MMP2 (0.61) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6584172 0.85 MMP2 (0.61) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6586433 0.84 MMP2 (0.85) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6587024 0.83 MMP2 (0.59) MMP2MMP3CCNT1CDK9L3MBTL1
SCHEMBL6590424 0.83 MMP2 (0.59) MMP2MMP3

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-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed