SCHEMBL6719152

SCHEMBL6719152

CN(C(CN1C(=O)c2ccccc2C1=O)C(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.49
LMNA P02545 2/20 0.48
MMP2 P08253 8/20 0.47
MMP9 P14780 8/20 0.47
LTA4H P09960 1/20 0.45
HTT P42858 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.44
NR3C1 P04150 1/20 0.43
PTGES O14684 2/20 0.43
ALOX5 P09917 1/20 0.43
MMP1 P03956 3/20 0.43
MMP13 P45452 3/20 0.43
MMP3 P08254 2/20 0.43
MMP14 P50281 2/20 0.43
MMP8 P22894 1/20 0.43
PGR P06401 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 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
SCHEMBL6719776 0.89 MMP2 (0.55) DUTLMNAMMP2MMP9HTT
SCHEMBL6722473 0.89 MMP2 (0.55) DUTLMNAMMP2MMP9HTT
SCHEMBL6719781 0.89 MMP2 (0.55) DUTLMNAMMP2MMP9HTT
SCHEMBL6724822 0.84 LMNA (0.48) DUTLMNAMMP2MMP9LTA4H
SCHEMBL6722451 0.83 MMP2 (0.54) DUTMMP2MMP9ADAMTS5NR3C1
SCHEMBL6719593 0.83 MMP2 (0.54) DUTMMP2MMP9NR3C1MMP1
SCHEMBL6726794 0.82 LMNA (0.48) DUTLMNAMMP2MMP9LTA4H
SCHEMBL6727028 0.81 DUT (0.49) DUTMMP2MMP9HTTNR3C1
SCHEMBL6724065 0.81 DUT (0.51) DUTLMNAMMP2MMP9HTT
SCHEMBL6722537 0.81 DUT (0.55) DUTLMNAMMP2MMP9HTT

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