SCHEMBL7351735

SCHEMBL7351735

O=C(O)C(CCCCNC(=S)Nc1cccnc1)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.46
MMP13 P45452 7/20 0.46
BCL6 P41182 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP2 P08253 8/20 0.41
MMP9 P14780 8/20 0.41
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.39
MMP1 P03956 2/20 0.39

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
SCHEMBL7346019 0.86 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7349058 0.86 MMP12 (0.47) MMP12MMP13MMP2MMP9MMP3
SCHEMBL7348836 0.83 BMP1 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7351458 0.83 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7350497 0.82 MMP12 (0.50) MMP12MMP13ALDH1A1MMP2MMP9
SCHEMBL7345103 0.81 MMP12 (0.52) MMP12MMP13MMP7NAMPT
SCHEMBL7353164 0.80 MMP12 (0.52) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7352548 0.80 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP1
SCHEMBL7351650 0.79 MMP12 (0.54) MMP12MMP13MMP2MMP9SMN1; SMN2
SCHEMBL7345046 0.79 MMP12 (0.47) MMP12MMP13ALDH1A1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US claimed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP claimed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-6294674-B1 FOR THERAPY OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, RESTENOSIS, AORTIC ANEURISM, HEART FAILURE, PERIODONTAL DISEASE, CORNEAL ULCERATION, BURNS, DECUBITAL ULCERS, CHRONIC ULCERS OR WOUNDS, CANCER METASTASIS WARNER-LAMBERT COMPANY 2001-09-25 US disclosed
EP-0929542-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-21 EP disclosed
WO-1998009957-A1 COMPOUNDS FOR AND A METHOD OF INHIBITING MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed