SCHEMBL8913470

SCHEMBL8913470

NC(=O)c1ccccc1-c1ccccc1.O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MMP2 P08253 8/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MMP9 P14780 5/20 0.47
ADAMTS4 O75173 1/20 0.47
KCNA5 P22460 1/20 0.45
ITGAV P06756 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ITGB3 P05106 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8914320 0.85 BCAT2 (0.45) ADAMTS4ITGAVALDH1A1BCAT2KDM4E
SCHEMBL8912385 0.83 KDM4E (0.48) MMP2MMP9ADAMTS4KCNA5ALDH1A1
SCHEMBL8913898 0.81 KCNA5 (0.47) MMP2MMP9ADAMTS4KCNA5CYP3A4
SCHEMBL8912407 0.81 MMP2 (0.67) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL8913765 0.79 F2 (0.49) HTTMMP2ADAMTS5MMP9ADAMTS4
SCHEMBL6522675 0.77 MMP2 (0.66) HTTMMP2ADAMTS5MMP9ADAMTS4
SCHEMBL8914953 0.77 MMP2 (0.63) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL8916700 0.76 MEN1 (0.60) MMP2ADAMTS5MMP9ADAMTS4ITGAV
SCHEMBL27146770 0.75 MMP2 (0.59) HTTMMP2ADAMTS5MMP9ADAMTS4
SCHEMBL27146771 0.75 MMP2 (0.59) HTTMMP2ADAMTS5MMP9ADAMTS4

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-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed