SCHEMBL8913859

SCHEMBL8913859

O=C(NN1CCNCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
TP53 P04637 1/20 0.56
MMP2 P08253 9/20 0.54
MMP9 P14780 6/20 0.54
ADAMTS4 O75173 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CTSB P07858 2/20 0.48
USP30 Q70CQ3 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL8915081 0.92 MMP2 (0.56) CTSLCTSSCTSKMMP2MMP9
SCHEMBL8913854 0.82 MMP2 (0.57) CTSLCTSSCTSKTP53MMP2
SCHEMBL8916336 0.81 GAA (0.48) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL5189189 0.79 MMP2 (0.79) CTSLCTSSCTSKTP53MMP2
SCHEMBL7468716 0.79 MMP2 (0.79) CTSLCTSSCTSKTP53MMP2
SCHEMBL7460419 0.79 MMP2 (0.79) CTSLCTSSCTSKTP53MMP2
SCHEMBL8913773 0.78 CTSL (0.48) CTSLCTSSCTSKTP53MMP2
SCHEMBL8912753 0.77 MMP1 (0.55) MMP2MMP9ADAMTS4MMP1MMP3
SCHEMBL8915393 0.76 ALDH1A1 (0.51) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL8914458 0.75 P2RX7 (0.50) MMP2MMP9MAPTMMP1

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