SCHEMBL5325191

SCHEMBL5325191

Cc1cccc(CNC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.58
HPGD P15428 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PPARG P37231 1/20 0.55
HSP90AA1 P07900 1/20 0.54
LMNA P02545 2/20 0.53
SENP1 Q9P0U3 1/20 0.53
IDO1 P14902 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL4483467 0.87 MMP13 (0.59) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL4977146 0.86 ALDH1A1 (0.65) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL29936927 0.84 CA1 (0.66) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL14797152 0.82 MMP13 (0.58) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL14724810 0.82 GAA (0.62) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL30780038 0.82 GAA (0.62) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL4926491 0.82 CFD (0.57) HPGDHSP90AA1LMNASENP1IDO1
SCHEMBL3816878 0.82 HPGD (0.79) MMP13HPGDALDH1A1KDM4ELMNA
SCHEMBL3037056 0.82 HDAC8 (0.65) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL8042301 0.81 HDAC6 (0.77) HPGDALDH1A1HSP90AA1LMNAMAPT

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
WO-2007131996-A1 META-XYLYLENEDIAMINE VANADATE SALTS GENMEDICA THERAPEUTICS SL (ES) 2007-11-22 WO disclosed