SCHEMBL6554554

SCHEMBL6554554

Cc1ccc(O)cc1S(=O)(=O)N(c1ccc(F)cc1[N+](=O)[O-])C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
ALDH1A1 P00352 5/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
BLM P54132 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE7B Q9NP56 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39

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
SCHEMBL6553172 0.88 ALDH1A1 (0.51) HSD11B1ALDH1A1PDE2APDE5ACYP3A4
SCHEMBL6554650 0.84 MAPT (0.40) HSD11B1ALDH1A1PDE2APDE5ACYP3A4
SCHEMBL6553351 0.79 PSEN1 (0.52) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL6554755 0.75 ALDH1A1 (0.47) HSD11B1ALDH1A1PDE2APDE5ACYP3A4
SCHEMBL6554646 0.71 ALDH1A1 (0.50) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6555483 0.71 ALDH1A1 (0.50) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6553206 0.70 ALDH1A1 (0.44) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL1136123 0.70 ATM (0.47) ALDH1A1PDE7AKDM4EHTTTDP1
SCHEMBL6553202 0.68 HSD11B1 (0.45) HSD11B1ALDH1A1KDM4EHTTGAA
SCHEMBL6553234 0.67 HSD11B1 (0.36) HSD11B1ALDH1A1PSEN1PSEN2APH1B

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
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP claimed