SCHEMBL8916308

SCHEMBL8916308

O=C(NN1CCNCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
THRB P10828 2/20 0.56
MAPT P10636 2/20 0.56
GLA P06280 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
TRPA1 O75762 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL8914325 0.88 MMP2 (0.59) LMNAALDH1A1GAASMN1; SMN2MAPT
SCHEMBL893545 0.79 ALDH1A1 (0.66) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL893543 0.79 ALDH1A1 (0.66) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL8916305 0.79 LMNA (0.52) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL31086980 0.79 MMP1 (0.70) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL6968690 0.78 MAPT (0.68) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL13571358 0.77 ATM (0.74) LMNAALDH1A1TSHRL3MBTL1ATM
SCHEMBL13570656 0.77 LMNA (0.63) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL13570655 0.77 LMNA (0.63) LMNAALDH1A1TSHRL3MBTL1GAA
SCHEMBL28864063 0.77 LMNA (0.63) LMNAALDH1A1TSHRL3MBTL1GAA

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