SCHEMBL3363534

SCHEMBL3363534

COC(=O)Oc1ccc2ccn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.51
HTR6 P50406 11/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL3363394 0.89 HTR6 (0.52) FGFR4HTR6KMT2AMEN1HTR1A
SCHEMBL3146209 0.84 HTR6 (0.51) FGFR4HTR6KMT2AMEN1HTR1A
SCHEMBL3137791 0.79 HTR6 (0.55) FGFR4HTR6HTR1ADRD2TSHR
SCHEMBL14100714 0.72 HTR6 (0.60) HTR6KMT2AMEN1HTR1ADRD2
SCHEMBL27766601 0.71 HTR6 (0.56) HTR6KMT2AMEN1MAPTHTT
SCHEMBL28763884 0.71 HTR6 (0.59) HTR6KMT2AMEN1HDAC1HDAC6
SCHEMBL27879729 0.70 MEN1 (0.72) HTR6KMT2AMEN1HTR1ADRD2
SCHEMBL17927571 0.69 HTR6 (0.77) HTR6KMT2AMEN1HTR1ADRD2
SCHEMBL3363510 0.69 MEN1 (0.56) HTR6KMT2AMEN1HTR1ADRD2
SCHEMBL1892670 0.68 HTR6 (0.78) HTR6KMT2AMEN1HDAC1HDAC6

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-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 EP claimed