SCHEMBL6974189

SCHEMBL6974189

COc1ccc(CSC2CC(C(=O)N(C)N(C)Cc3ccccc3)N(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
ECE1 P42892 2/20 0.44
MMP1 P03956 11/20 0.43
MMP3 P08254 10/20 0.43
MMP13 P45452 10/20 0.43
CCR4 P51679 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 6/20 0.41
MMP7 P09237 5/20 0.41
CHRM5 P08912 1/20 0.40
MMP9 P14780 6/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL5723122 1.00 MME (0.44) MMEACEECE1MMP1MMP3
SCHEMBL5723696 0.91 MME (0.45) MMEACEECE1MMP1MMP3
SCHEMBL5723235 0.90 MME (0.45) MMEACEECE1MMP1MMP3
SCHEMBL5723329 0.89 CCR4 (0.40) MMEACEECE1MMP1MMP3
SCHEMBL5723334 0.89 CCR4 (0.40) MMEACEECE1MMP1MMP3
SCHEMBL7150109 0.88 MME (0.45) MMEACEECE1MMP1MMP3
SCHEMBL7135744 0.87 MME (0.51) MMEACEECE1MMP1MMP3
SCHEMBL7135747 0.87 MME (0.51) MMEACEECE1MMP1MMP3
SCHEMBL5723180 0.87 MME (0.44) MMEACEECE1MMP1MMP3
SCHEMBL5723539 0.87 CA12 (0.49) MMEACEECE1MMP1MMP3

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
EP-1317428-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
WO-2002006224-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed