SCHEMBL6723939

SCHEMBL6723939

CN(C(CCn1c(=O)c(F)cn(COCc2ccccc2)c1=O)C(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 5/20 0.37
MMP9 P14780 5/20 0.37
NR3C1 P04150 5/20 0.36
PTGES O14684 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MMP13 P45452 2/20 0.35
CTSK P43235 1/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL6722486 0.91 DUT (0.46) DUTMMP2MMP9NR3C1PTGES
SCHEMBL6727012 0.87 DUT (0.50) DUTMMP2MMP9NR3C1PTGES
SCHEMBL6722415 0.84 DUT (0.44) DUTMMP2MMP9NR3C1PTGES
SCHEMBL6719280 0.83 MMP2 (0.39) MEN1KMT2AMMP2MMP9MMP13
SCHEMBL6722449 0.79 DUT (0.41) DUTMEN1KMT2AMMP2MMP9
SCHEMBL6726942 0.78 DUT (0.44) DUTMMP2MMP9NR3C1PTGES
SCHEMBL6724062 0.78 DUT (0.40) DUTMMP2MMP9MMP13
SCHEMBL6722526 0.75 MMP13 (0.41) MMP2MMP9MMP13LMNA
SCHEMBL6722436 0.72 DUT (0.53) DUTMEN1KMT2AMMP2MMP9
SCHEMBL7847823 0.70 DUT (0.46) DUTMEN1KMT2AMMP2MMP9

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