SCHEMBL28761102

SCHEMBL28761102

O=C(NCc1cc[c]cc1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.57
MMP2 P08253 5/20 0.52
MMP10 P09238 5/20 0.52
MMP8 P22894 5/20 0.52
MMP3 P08254 3/20 0.49
MMP12 P39900 3/20 0.49
MMP9 P14780 2/20 0.48
MMP14 P50281 2/20 0.48
MMP1 P03956 1/20 0.48
MMP7 P09237 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL4930061 0.91 MMP13 (0.65) MMP13MMP2MMP10MMP8MMP3
SCHEMBL27683257 0.87 MMP13 (0.57) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4936750 0.86 MAPT (0.61) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4936756 0.86 MMP13 (0.62) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4935373 0.85 MMP13 (0.57) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4934669 0.83 MMP13 (0.63) MMP13MMP2MMP10MMP8
SCHEMBL27683266 0.83 MMP13 (0.53) MMP13MMP2MMP10MMP8MMP3
SCHEMBL27683269 0.81 MMP13 (0.67) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4932534 0.81 MMP13 (0.67) MMP13MMP2MMP10MMP8MMP3
SCHEMBL8194790 0.81 MMP13 (0.60) MMP13MMP2MMP10MMP8MMP3

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
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN disclosed
CN-1976907-A Heterocyclic amide compound and use thereof as an MMP-13 inhibitor TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN disclosed