SCHEMBL6731361

SCHEMBL6731361

C=CCOC(=O)C(CCN1C(=O)CSC1=O)N(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.46
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP2 P08253 8/20 0.36
MMP9 P14780 8/20 0.36
MMP1 P03956 5/20 0.36
MMP13 P45452 5/20 0.36
MMP3 P08254 4/20 0.36
MMP14 P50281 4/20 0.36
MMP12 P39900 2/20 0.36
MMP8 P22894 2/20 0.36
GAA P10253 1/20 0.35
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35
HTT P42858 1/20 0.35
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 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
SCHEMBL6723622 0.88 DUT (0.51) DUTLMNAALDH1A1MEN1TSHR
SCHEMBL6719216 0.85 MMP2 (0.49) DUTLMNAMMP2MMP9MMP1
SCHEMBL6719833 0.81 MMP2 (0.41) LMNAALDH1A1MEN1TSHRKMT2A
SCHEMBL6722425 0.81 LMNA (0.46) DUTLMNAMMP2MMP9MMP1
SCHEMBL6722457 0.80 LMNA (0.45) DUTLMNAMMP2MMP9MMP1
SCHEMBL7847823 0.79 DUT (0.46) DUTLMNAALDH1A1MEN1KMT2A
SCHEMBL6722549 0.74 DUT (0.43) DUTLMNATSHR
SCHEMBL6724062 0.74 DUT (0.40) DUTALDH1A1MMP2MMP9MMP1
SCHEMBL6724128 0.72 MMP2 (0.45) DUTMMP2MMP9MMP1MMP13
SCHEMBL6722473 0.72 MMP2 (0.55) DUTLMNAMMP2MMP9MMP1

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