SCHEMBL4626768

SCHEMBL4626768

CSc1ncc(COc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.38
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
CYP3A4 P08684 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PLAU P00749 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR6 P50406 9/20 0.35
BCHE P06276 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3828152 0.84 HTR6 (0.40) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL1268028 0.77 BRD4 (0.41) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL4658373 0.74 SMN1; SMN2 (0.33) BRD4HTR2AHTR2CSMN1; SMN2TAAR1
SCHEMBL12675766 0.73 HTR6 (0.39) BRD4DRD2HTR2AHTR7ALDH1A1
SCHEMBL1266871 0.72 BRD4 (0.58) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL15607451 0.72 BRD4 (0.43) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL1267361 0.71 HTR6 (0.40) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL1266811 0.71 BRD4 (0.40) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL1268061 0.70 KDM4E (0.45) BRD4DRD2HTR2AHTR7CYP3A4
SCHEMBL2600003 0.70 HTR6 (0.41) BRD4DRD2HTR7HTR6

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-2008063888-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed