SCHEMBL8916305

SCHEMBL8916305

NC(=O)N1CCNCC1.O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPA1 O75762 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL8914321 0.91 ALDH1A1 (0.50) LMNAALDH1A1HTTKDM4EHSD17B10
SCHEMBL893543 0.85 ALDH1A1 (0.66) LMNAALDH1A1HTTKDM4EHSD17B10
SCHEMBL893545 0.85 ALDH1A1 (0.66) LMNAALDH1A1HTTKDM4EHSD17B10
SCHEMBL15648472 0.81 ALDH1A1 (0.72) LMNAALDH1A1HTTTRPA1TSHR
SCHEMBL6962263 0.81 ALDH1A1 (0.72) LMNAALDH1A1HTTTRPA1TSHR
SCHEMBL3721226 0.80 LMNA (0.63) LMNAALDH1A1HTTTRPA1TSHR
SCHEMBL28864063 0.80 LMNA (0.63) LMNAALDH1A1HTTTRPA1TSHR
SCHEMBL27583610 0.79 MMP1 (0.54) LMNAALDH1A1HTTKDM4EHSD17B10
SCHEMBL8916308 0.79 LMNA (0.66) LMNAALDH1A1HTTTRPA1TSHR
SCHEMBL16635434 0.79 ALDH1A1 (0.59) LMNAALDH1A1HTTKDM4EHSD17B10

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