SCHEMBL3363394

SCHEMBL3363394

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.52
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FGFR4 P22455 2/20 0.47
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL3363534 0.89 FGFR4 (0.51) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL3137791 0.84 HTR6 (0.55) HTR6HTR1ADRD2FGFR4TSHR
SCHEMBL3146209 0.80 HTR6 (0.51) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL3363510 0.78 MEN1 (0.56) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL27879729 0.75 MEN1 (0.72) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL17927571 0.74 HTR6 (0.77) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL27766601 0.73 HTR6 (0.56) HTR6MEN1KMT2AMAPTHTT
SCHEMBL28763884 0.71 HTR6 (0.59) HTR6MEN1KMT2AFABP4
SCHEMBL17913426 0.70 MEN1 (0.61) HTR6HTR1ADRD2MEN1KMT2A
SCHEMBL14100714 0.70 HTR6 (0.60) HTR6HTR1ADRD2MEN1KMT2A

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