SCHEMBL6586391

SCHEMBL6586391

COC(=O)C(C)(C)S(=O)(=O)N1CC=C(c2ccc(-c3ccc4c(c3)nc(C)n4C)c(C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.47
MMP3 P08254 11/20 0.47
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL6584658 0.81 MMP2 (0.51) MMP2MMP3KDM4ENPC1RAB9A
SCHEMBL6586244 0.80 MMP2 (0.49) MMP2MMP3
SCHEMBL6587603 0.78 MMP2 (0.48) MMP2MMP3CCNT1CDK9
SCHEMBL6582915 0.78 MMP2 (0.72) MMP2MMP3CCNT1CDK9
SCHEMBL6437646 0.78 MMP2 (0.48) MMP2MMP3CCNT1CDK9LMNA
SCHEMBL6588048 0.76 MMP2 (0.57) MMP2MMP3CCNT1CDK9KDM4E
SCHEMBL6590027 0.76 MMP2 (0.61) MMP2MMP3CCNT1CDK9
SCHEMBL6590755 0.76 MMP2 (0.52) MMP2MMP3CCNT1CDK9KDM4E
SCHEMBL6439725 0.74 MMP2 (0.62) MMP2MMP3CCNT1CDK9
SCHEMBL6587154 0.73 MMP2 (0.52) MMP2MMP3KDM4E

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