SCHEMBL5490595

SCHEMBL5490595

Cc1ccc(S(=O)(=O)NC(CCCC[AsH2])C(=O)CCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.45
HPN P05981 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MMP2 P08253 5/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 3/20 0.42
CA1 P00915 2/20 0.42
MMP1 P03956 2/20 0.42
MMP8 P22894 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MMP3 P08254 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SLC1A3 P43003 1/20 0.41

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
SCHEMBL200247 0.88 MMP2 (0.57) PLAUHPNTDP1CA2CA9
SCHEMBL200245 0.88 MMP2 (0.57) PLAUHPNTDP1CA2CA9
Hydrochloric Acid SCHEMBL11406948 0.86 MMP2 (0.56) PLAUHPNTDP1CA2CA9
Hydrochloric Acid SCHEMBL920895 0.86 MMP2 (0.56) PLAUHPNTDP1CA2CA9
Hydrochloric Acid SCHEMBL15537019 0.85 MMP2 (0.55) PLAUHPNTDP1CA2CA9
SCHEMBL29999340 0.79 AIMP2 (0.57) PLAUHPNTDP1CA2CA9
SCHEMBL1305745 0.77 MMP2 (0.56) PLAUHPNTDP1CA2CA9
SCHEMBL1305743 0.77 MMP2 (0.56) PLAUHPNTDP1CA2CA9
Tpck SCHEMBL927265 0.76 MMP9 (0.61) TDP1CA2MMP2MMP9MMP13
Tpck SCHEMBL441444 0.76 MMP9 (0.61) TDP1CA2MMP2MMP9MMP13

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
JP-2007519496-A 2007-07-19 JP claimed
EP-1708651-A1 STABILIZED BONE GRAFT Osteotech, Inc., (US) 2006-10-11 EP claimed
WO-2005072656-A1 STABILIZED BONE GRAFT OSTEOTECH, INC. (US) 2005-08-11 WO claimed