SCHEMBL6554650

SCHEMBL6554650

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 1/20 0.40
VCAM1 P19320 1/20 0.39
AR P10275 1/20 0.39
PIK3CA P42336 8/20 0.38
PIK3CD O00329 6/20 0.38
PIK3CB P42338 6/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
PDE4A P27815 1/20 0.37
BLM P54132 1/20 0.37
PDE1B Q01064 1/20 0.37
PMP22 Q01453 1/20 0.37

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 0.85 ALDH1A1 (0.51) KMT2APIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL6554554 0.84 HSD11B1 (0.39) MAPTKMT2AALDH1A1PDE2APDE5A
SCHEMBL6554755 0.81 ALDH1A1 (0.47) MAPTKMT2AVCAM1PIK3CAPIK3CD
SCHEMBL6553162 0.80 POLB (0.47) MAPTVCAM1ALDH1A1KDM4EHTT
SCHEMBL6553220 0.77 VCAM1 (0.49) VCAM1ALDH1A1HSD11B1KDM4EHTT
SCHEMBL6553202 0.74 HSD11B1 (0.45) KMT2AARALDH1A1KCNJ6KCNJ5
SCHEMBL6553234 0.74 HSD11B1 (0.36) ARPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL6553169 0.70 ESR1 (0.40) MAPTPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL323126 0.69 VCAM1 (0.64) MAPTKMT2AVCAM1ALDH1A1CYP3A4
SCHEMBL6554646 0.69 ALDH1A1 (0.50) KMT2APIK3CAPIK3CDPIK3CBALDH1A1

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