SCHEMBL6554818

SCHEMBL6554818

CON(c1ccc([N+](=O)[O-])cc1C#N)S(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46
PDE1B Q01064 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE7A Q13946 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE7B Q9NP56 1/20 0.46
PIK3CA P42336 10/20 0.39
PIK3CD O00329 5/20 0.39
PIK3CB P42338 5/20 0.39
VCAM1 P19320 1/20 0.38

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
SCHEMBL6554646 0.85 ALDH1A1 (0.50) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6554755 0.84 ALDH1A1 (0.47) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6553538 0.81 POLB (0.44) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6831225 0.75 VCAM1 (0.40) ALDH1A1VCAM1LMNAMAPTGAA
SCHEMBL6831733 0.74 VCAM1 (0.44) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6833370 0.71 PLA2G7 (0.48) ALDH1A1CYP3A4VCAM1L3MBTL1
SCHEMBL6553172 0.71 ALDH1A1 (0.51) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL6555483 0.70 ALDH1A1 (0.50) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL29557322 0.69 VCAM1 (0.64) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL1343971 0.69 VCAM1 (0.64) ALDH1A1PDE2APDE5ACYP3A4ALOX15

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