SCHEMBL1658472

SCHEMBL1658472

COc1ccc(S(=O)(=O)N2C(C(=O)NOCc3ccccc3)CC3CCN(C(=O)Nc4ccccc4)CC32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.65
MMP2 P08253 2/20 0.65
MMP12 P39900 1/20 0.65
MMP1 P03956 7/20 0.53
MMP13 P45452 4/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP3 P08254 6/20 0.48
MMP7 P09237 6/20 0.48
MMP8 P22894 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
CYP3A4 P08684 2/20 0.45
GLA P06280 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL1655650 1.00 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP13
SCHEMBL2927653 0.92 MMP9 (0.68) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655602 0.91 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1658416 0.91 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656110 0.90 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656824 0.90 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP13
SCHEMBL2927874 0.90 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656134 0.88 MMP9 (0.73) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1656114 0.88 MMP9 (0.73) MMP9MMP2MMP12MMP1MMP13
SCHEMBL1655568 0.88 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932389-B2 treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis MERCK SERONO S.A. (CH) 2011-04-26 US disclosed