SCHEMBL5768634

SCHEMBL5768634

Cc1ccc(S(=O)(=O)O)c(CC2COc3ccc4nc(C)c(C)nc4c3O2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
GRM1 Q13255 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR1A P08908 2/20 0.31
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOD2 Q9HC29 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5765100 0.90 CA2 (0.35) CA2GRM1HTR1AHSD17B10GAA
SCHEMBL5767727 0.86 CA2 (0.36) CA2HSD17B10GAALMNATSHR
SCHEMBL4821516 0.84 CA2 (0.38) CA2KDM4EHTR1AHSD17B10LMNA
SCHEMBL6630732 0.84 HTR1A (0.46) CA2KDM4EMEN1KMT2AATM
SCHEMBL6109572 0.84 HTR1A (0.46) CA2KDM4EMEN1KMT2AATM
SCHEMBL6630585 0.82 HTR1A (0.39) CA2KDM4EMEN1KMT2AATM
SCHEMBL6630209 0.81 HTR1A (0.37) CA2GRM1KDM4EMEN1KMT2A
SCHEMBL4335129 0.81 NR3C1 (0.37) CA2KDM4EMEN1KMT2AHTR1A
SCHEMBL7236260 0.80 CA2 (0.35) CA2HTR1A
SCHEMBL7240006 0.80 CA2 (0.35) CA2HTR1A

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-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 EP claimed