SCHEMBL6966720

SCHEMBL6966720

Cc1cc(C2CCN(S(=O)(=O)C3(C(=O)O)CC(O)C(O)C3)CC2)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.35
MMP3 P08254 6/20 0.35
MMP2 P08253 5/20 0.35
TP53 P04637 3/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
USP5 P45974 5/20 0.34
HDAC6 Q9UBN7 1/20 0.33
PTGDR Q13258 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL6966714 1.00 MAPT (0.36) MAPTKMT2AHTR6MMP3MMP2
SCHEMBL6966717 1.00 MAPT (0.36) MAPTKMT2AHTR6MMP3MMP2
SCHEMBL6438533 0.89 MMP3 (0.38) MAPTKMT2AMMP3MMP2TP53
SCHEMBL6437561 0.89 MMP3 (0.38) MAPTKMT2AMMP3MMP2TP53
SCHEMBL7204028 0.87 MAPT (0.38) MAPTKMT2AMMP3MMP2TP53
SCHEMBL6963988 0.87 MAPT (0.35) MAPTKMT2AHTR6MMP3MMP2
SCHEMBL6971622 0.87 MAPT (0.35) MAPTKMT2AHTR6MMP3MMP2
SCHEMBL7202506 0.87 MAPT (0.35) MAPTKMT2AHTR6MMP3MMP2
SCHEMBL6963993 0.87 MAPT (0.35) MAPTKMT2AHTR6MMP3MMP2
SCHEMBL6969295 0.80 DRD2 (0.48) KMT2AMMP1MMP9

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-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP disclosed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US disclosed