SCHEMBL6723593

SCHEMBL6723593

CN(C(CCn1c(=O)[nH]c2nccnc2c1=O)C(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.54
ADRA1B P35368 1/20 0.39
MMP2 P08253 8/20 0.38
MMP9 P14780 8/20 0.38
KDM4E B2RXH2 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
LMNA P02545 1/20 0.37
MMP13 P45452 6/20 0.37
MMP1 P03956 5/20 0.37
MMP3 P08254 4/20 0.37
MMP14 P50281 3/20 0.37
NR3C1 P04150 2/20 0.37
MMP12 P39900 1/20 0.37
MMP8 P22894 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PTGES O14684 1/20 0.36
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL6719070 0.86 DUT (0.53) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6719278 0.83 DUT (0.56) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6724138 0.82 DUT (0.55) DUTMMP2MMP9KDM4ELMNA
SCHEMBL6719663 0.81 DUT (0.56) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6723951 0.80 DUT (0.54) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6719761 0.80 DUT (0.52) DUTKDM4E
SCHEMBL6730992 0.80 DUT (0.52) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6722436 0.79 DUT (0.53) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6723955 0.79 DUT (0.55) DUTMMP2MMP9ADAMTS5LMNA
SCHEMBL6719609 0.78 DUT (0.56) DUTMMP2MMP9ADAMTS5LMNA

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