SCHEMBL2927653

SCHEMBL2927653

COc1ccc(S(=O)(=O)N2[C@H](C(=O)NOCc3ccccc3)C[C@@H]3CCN(C(=O)O)C[C@@H]32)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.68
MMP2 P08253 5/20 0.68
MMP12 P39900 1/20 0.68
MMP1 P03956 11/20 0.49
MMP3 P08254 10/20 0.49
MMP7 P09237 7/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 7/20 0.49
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1658416 0.94 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1655602 0.94 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1656110 0.93 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP3
SCHEMBL2927874 0.93 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1656824 0.93 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1655650 0.92 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1658472 0.92 MMP9 (0.65) MMP9MMP2MMP12MMP1MMP3
SCHEMBL5532545 0.91 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1655568 0.91 MMP9 (0.67) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1658459 0.85 MMP9 (0.56) MMP9MMP2MMP12MMP1MMP3

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
EP-1768979-B1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF MERCK SERONO SA (CH) 2010-09-29 EP claimed