SCHEMBL14529964

SCHEMBL14529964

N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.65
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
EPHX2 P34913 2/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
MMP1 P03956 1/20 0.46
ADAM17 P78536 1/20 0.46
ITGB1 P05556 7/20 0.46
ITGA4 P13612 7/20 0.46
ITGB7 P26010 1/20 0.46
KCNQ1 P51787 1/20 0.46

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
SCHEMBL14529616 1.00 HSD11B1 (0.65) HSD11B1MMP2MMP9EPHX2HCRTR1
SCHEMBL12640491 0.86 HCRTR1 (0.57) HSD11B1HCRTR1HCRTR2ITGB1ITGA4
SCHEMBL14529605 0.85 ITGB1 (0.53) HSD11B1MMP2MMP9EPHX2ITGB1
SCHEMBL5315701 0.84 HSD11B1 (0.49) HSD11B1HCRTR1HCRTR2ITGB1ITGA4
SCHEMBL5332792 0.84 HSD11B1 (0.53) HSD11B1MMP2MMP9ITGB1ITGA4
SCHEMBL14529947 0.84 HSD11B1 (0.53) HSD11B1MMP2MMP9ITGB1ITGA4
SCHEMBL3922371 0.83 EPHX2 (0.69) HSD11B1EPHX2
SCHEMBL5345940 0.82 TSHR (0.62) HSD11B1HCRTR1HCRTR2MMP1ITGB1
SCHEMBL5345936 0.82 TSHR (0.62) HSD11B1HCRTR1HCRTR2MMP1ITGB1
SCHEMBL5452294 0.80 GAA (0.48) HSD11B1HCRTR1HCRTR2ITGB1ITGA4

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
WO-2007057768-A2 SULFONYL DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed