SCHEMBL17033472

SCHEMBL17033472

c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)cc3c4ccccc4c4ccccc4n53)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
DHFR P00374 1/20 0.38
NPY5R Q15761 1/20 0.38
GRM5 P41594 8/20 0.36
MCL1 Q07820 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
METAP2 P50579 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL17033646 0.97 HTR1A (0.44) HTR1AHTR7DHFRNPY5RGRM5
SCHEMBL16066215 0.93 HTR1A (0.44) HTR1AHTR7DHFRNPY5RGRM5
SCHEMBL16067223 0.91 HTR1A (0.43) HTR1AHTR7DHFRNPY5RGRM5
SCHEMBL16066388 0.91 HTR1A (0.43) HTR1AHTR7DHFRNPY5RGRM5
SCHEMBL16066987 0.90 HTR1A (0.44) HTR1AHTR7DHFRNPY5RGRM5
SCHEMBL17206494 0.88 HTR1A (0.47) HTR1AHTR7DHFRGRM5MCL1
SCHEMBL17033792 0.86 HTR1A (0.42) HTR1AHTR7DHFRGRM5KDM4E
SCHEMBL17033532 0.86 NPY5R (0.36) HTR1AHTR7NPY5RGRM5MCL1
SCHEMBL3133195 0.85 HTR1A (0.54) HTR1AHTR7DHFRGRM5MCL1
SCHEMBL16066711 0.85 KDM4E (0.40) HTR1AHTR7DHFRGRM5KDM4E

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed