SCHEMBL6553202

SCHEMBL6553202

Cc1ccc(O)cc1S(=O)(=O)N(c1ccccc1C#N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 2/20 0.37
KCNJ6 P48051 2/20 0.35
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
ESR2 Q92731 2/20 0.35
LMNA P02545 1/20 0.34
AR P10275 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLO1 Q04760 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33

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
SCHEMBL6553234 0.85 HSD11B1 (0.36) HSD11B1ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL6554755 0.81 ALDH1A1 (0.47) HSD11B1ALDH1A1LMNAGAAMEN1
SCHEMBL6554650 0.74 MAPT (0.40) HSD11B1ALDH1A1HTTKCNJ6KCNJ5
SCHEMBL6553172 0.68 ALDH1A1 (0.51) HSD11B1ALDH1A1HTTTSHRKDM4E
SCHEMBL6553169 0.68 ESR1 (0.40) ALDH1A1ESR1KCNJ6KCNJ5KCNJ3
SCHEMBL6554554 0.68 HSD11B1 (0.39) HSD11B1ALDH1A1HTTGAAPKM
SCHEMBL9811626 0.67 ALDH1A1 (0.47) ALDH1A1ESR1KCNJ6KCNJ5KCNJ3
SCHEMBL9340792 0.67 ALDH1A1 (0.56) ALDH1A1KCNJ6KCNJ5KCNJ3LMNA
SCHEMBL2565065 0.67 TSHR (0.45) HSD11B1ALDH1A1HTTESR2LMNA
SCHEMBL9180736 0.64 ESR1 (0.48) ALDH1A1ESR1KCNJ6KCNJ5KCNJ3

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