SCHEMBL7846699

SCHEMBL7846699

CC(C)CC(C(=O)Nn1c(=O)[nH]c2ncccc2c1=O)[C@@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.43
MMP13 P45452 1/20 0.43
KMT2A Q03164 1/20 0.41
MMP8 P22894 1/20 0.39
MMP2 P08253 5/20 0.39
MMP3 P08254 5/20 0.39
MMP7 P09237 5/20 0.39
FEN1 P39748 1/20 0.38
APP P05067 1/20 0.37
GAA P10253 1/20 0.37
FCER2 P06734 1/20 0.36

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
SCHEMBL7846703 1.00 MMP1 (0.43) MMP1MMP13KMT2AMMP8MMP2
SCHEMBL7849154 0.88 MMP1 (0.45) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7849158 0.88 MMP1 (0.45) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7955739 0.84 MMP1 (0.49) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7955742 0.84 MMP1 (0.49) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7848659 0.83 MMP1 (0.35) MMP1MMP13KMT2AMMP2MMP7
SCHEMBL7847147 0.83 MMP1 (0.43) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7847144 0.83 MMP1 (0.43) MMP1MMP13MMP8MMP2MMP3
SCHEMBL7849870 0.81 HPGD (0.51) MMP1MMP13KMT2AMMP8MMP2
SCHEMBL7849871 0.81 HPGD (0.51) MMP1MMP13KMT2AMMP8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed