SCHEMBL6924722

SCHEMBL6924722

O=S(=O)(Nc1ccccc1F)c1ccc2[nH]c(-c3ccsc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MAPT P10636 7/20 0.52
TP53 P04637 4/20 0.52
IDH2 P48735 4/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
PKM P14618 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SCD O00767 2/20 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
SCHEMBL6926267 0.89 MAPT (0.51) TSHRMAPTTP53IDH2KMT2A
SCHEMBL6924788 0.89 MAPT (0.52) TSHRMAPTTP53IDH2KMT2A
SCHEMBL6926782 0.87 MAPT (0.66) TSHRMAPTTP53KMT2AMEN1
SCHEMBL6926930 0.81 TSHR (0.51) TSHRMAPTTP53KMT2AMEN1
SCHEMBL6926724 0.79 CBFB (0.55) TSHRMAPTTP53KMT2AMEN1
SCHEMBL6926524 0.78 MAPT (0.68) TSHRMAPTTP53KMT2AMEN1
SCHEMBL11369834 0.77 TSHR (0.48) TSHRMAPTTP53KMT2AMEN1
SCHEMBL6927130 0.77 ALDH1A1 (0.53) MAPTTP53IDH2KMT2AMEN1
SCHEMBL6927054 0.77 TSHR (0.48) TSHRMAPTTP53KMT2AMEN1
SCHEMBL6926929 0.77 METAP2 (0.51) TSHRMAPTTP53KMT2AMEN1

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-2011011722-A1 SUBSTITUTED BENZOIMIDAZOLESULFONAMIDES AND SUBSTITUTED INDOLESULFONAMIDES AS MGLUR4 POTENTIATORS VANDERBILT UNIVERSITY (US) 2011-01-27 WO disclosed