SCHEMBL4869386

SCHEMBL4869386

COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C(O)c2c(Cl)cccc2OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
F2 P00734 2/20 0.46
TMPRSS6 Q8IU80 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
OXTR P30559 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MEP1B Q16820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3252883 0.96 TSHR (0.48) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL3251522 0.93 TSHR (0.46) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL3243662 0.92 MEP1B (0.46) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL4872053 0.91 MEP1B (0.47) TSHRKMT2AF2TMPRSS6FLT1
SCHEMBL3252098 0.90 TSHR (0.49) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL3246588 0.90 MEP1B (0.48) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL3251279 0.89 KMT2A (0.48) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL4872129 0.89 TSHR (0.48) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL3247678 0.88 TSHR (0.53) TSHRMAPK1KMT2AF2TMPRSS6
SCHEMBL3254822 0.86 MEP1B (0.51) TSHRMAPK1KMT2AF2TMPRSS6

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
US-7396958-B2 Sulphonamide derivatives, their preparation and their therapeutic application SANOFI AVENTIS (FR) 2008-07-08 US disclosed