SCHEMBL6723955

SCHEMBL6723955

CN(C(CCn1c(=O)cc(Cl)[nH]c1=O)C(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.44
LMNA P02545 2/20 0.40
PGR P06401 3/20 0.39
MMP9 P14780 5/20 0.39
MMP2 P08253 4/20 0.39
MMP13 P45452 3/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
NR3C1 P04150 3/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
PTGES O14684 3/20 0.38
HTT P42858 1/20 0.38
DAGLA Q9Y4D2 2/20 0.38
ALOX5 P09917 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
SCHEMBL6719663 0.91 DUT (0.56) DUTADAMTS5LMNAPGRMMP9
SCHEMBL6722422 0.87 DUT (0.53) DUTADAMTS5LMNAMMP9MMP2
SCHEMBL6719609 0.85 DUT (0.56) DUTADAMTS5LMNAPGRMMP9
SCHEMBL6731210 0.84 DUT (0.51) DUTADAMTS5LMNAPGRMMP9
SCHEMBL6719278 0.83 DUT (0.56) DUTADAMTS5LMNAPGRMMP9
SCHEMBL6724138 0.82 DUT (0.55) DUTLMNAMMP9MMP2MMP13
SCHEMBL6723951 0.81 DUT (0.54) DUTADAMTS5LMNAMMP9MMP2
SCHEMBL6722414 0.79 DUT (0.51) DUTLMNAHTT
SCHEMBL6719761 0.79 DUT (0.52) DUTHTT
SCHEMBL6723593 0.79 DUT (0.54) DUTADAMTS5LMNAMMP9MMP2

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
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed