SCHEMBL9540835

SCHEMBL9540835

Nc1ccccc1-c1ccccc1.O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
BRD4 O60885 2/20 0.48
LMNA P02545 1/20 0.43
AKR1C3 P42330 2/20 0.43
HSD11B1 P28845 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
AKR1C1 Q04828 1/20 0.42
HTT P42858 1/20 0.42
CCR4 P51679 1/20 0.42
PLAU P00749 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL8916278 0.89 KDM4E (0.49) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL9539659 0.81 ROCK2 (0.46) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL8842866 0.80 KDM4E (0.57) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL8914173 0.78 MAPK1 (0.53) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL5062486 0.78 HTT (0.53) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL3727147 0.78 MMP8 (0.58) KDM4ETSHRCASP1CASP7LMNA
SCHEMBL9540915 0.77 MMP2 (0.54) TSHRLMNAHTT
SCHEMBL2705837 0.76 HCRTR1 (0.64) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL7359593 0.76 MMP8 (0.55) KDM4ETSHRCASP1CASP7BRD4
SCHEMBL2706418 0.76 HCRTR1 (0.64) KDM4ETSHRCASP1CASP7BRD4

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-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed