SCHEMBL8913765

SCHEMBL8913765

NC(=O)N1CCNCC1.O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c(Cl)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
HTT P42858 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
F10 P00742 3/20 0.45
PLAU P00749 1/20 0.44
MMP2 P08253 5/20 0.43
ADAMTS5 Q9UNA0 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
PLG P00747 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 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
SCHEMBL8914317 0.84 CYP3A4 (0.46) F2ITGB3ITGA2BPLAUPLG
SCHEMBL8913773 0.83 CTSL (0.48) F2HTTMMP2CTSLCTSB
SCHEMBL8914454 0.82 P2RX7 (0.51) F2HTTITGB3ITGA2BF10
SCHEMBL8915076 0.82 MMP2 (0.59) F2ITGB3ITGA2BF10PLAU
SCHEMBL8914335 0.82 ALDH1A1 (0.45) F2PLAUMMP2PLGMEN1
SCHEMBL8913470 0.79 HTT (0.50) HTTITGB3MMP2ADAMTS5CTSL
SCHEMBL8913854 0.78 MMP2 (0.57) F2ITGB3ITGA2BF10PLAU
SCHEMBL27146771 0.73 MMP2 (0.59) HTTF10MMP2ADAMTS5MEN1
SCHEMBL27146770 0.73 MMP2 (0.59) HTTF10MMP2ADAMTS5MEN1
N-(Ethoxycarbonyl)Piperazine SCHEMBL7137671 0.73 PLAU (0.65) F2F10PLAUPLG

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 3 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
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed