SCHEMBL8174907

SCHEMBL8174907

Bc1cnc2c(c1)c(-c1csc(C3CCN(C)CC3)n1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.39
BRD4 O60885 6/20 0.38
DRD3 P35462 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ATP4A P20648 3/20 0.34
ATP4B P51164 3/20 0.34
CYP3A4 P08684 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
SLC6A3 Q01959 1/20 0.34
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL1800049 0.90 HTR6 (0.39) HTR6BRD4DRD3HRH3ATP4A
SCHEMBL8168890 0.88 HTR6 (0.40) HTR6BRD4DRD3HRH3CYP3A4
SCHEMBL3347328 0.86 HTR6 (0.38) HTR6BRD4DRD3HRH3ATP4A
SCHEMBL1799069 0.86 HTR6 (0.38) HTR6BRD4DRD3HRH3ATP4A
SCHEMBL8172357 0.86 HTR6 (0.38) HTR6BRD4DRD3HRH3ATP4A
SCHEMBL3346600 0.86 HTR6 (0.38) HTR6BRD4DRD3HRH3ATP4A
SCHEMBL8445677 0.86 HTR6 (0.41) HTR6
SCHEMBL1798577 0.85 ACVR1 (0.37) HTR6BRD4DRD3HRH3
SCHEMBL8176428 0.85 ACVR1 (0.37) HTR6BRD4DRD3HRH3
SCHEMBL1798579 0.85 ACVR1 (0.37) HTR6BRD4DRD3HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed