SCHEMBL9494422

SCHEMBL9494422

NS(=O)(=O)c1ccc(C2CCCCC2)cc1.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
HTT P42858 2/20 0.57
CHRNA7 P36544 4/20 0.56
PTGES2 Q9H7Z7 1/20 0.56
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
CA9 Q16790 4/20 0.54
CA7 P43166 2/20 0.54
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
CA12 O43570 3/20 0.51
MAPT P10636 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL14341830 0.98 LMNA (0.59) LMNAHTTCHRNA7PTGES2CA1
SCHEMBL6841898 0.96 CHRNA7 (0.59) LMNAHTTCHRNA7PTGES2CA1
SCHEMBL8323422 0.88 CA2 (0.52) HTTCHRNA7PTGES2CA1CA2
SCHEMBL10182181 0.82 LMNA (0.68) LMNAHTTCHRNA7PTGES2SMN1; SMN2
SCHEMBL10180298 0.79 LMNA (0.65) LMNAHTTCHRNA7PTGES2SMN1; SMN2
SCHEMBL28297024 0.79 ESR2 (0.53) CHRNA7PTGES2CA1CA2CA9
SCHEMBL22816328 0.79 ESR2 (0.55) CHRNA7PTGES2CA1CA2CA9
SCHEMBL22048254 0.79 ESR2 (0.56) CHRNA7PTGES2CA1CA2CA9
SCHEMBL9827832 0.79 SLC18A3 (0.52) LMNACHRNA7CA1CA2CA9
SCHEMBL23686012 0.78 LMNA (0.59) LMNAHTTCHRNA7PTGES2SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed