SCHEMBL17033769

SCHEMBL17033769

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
NPY5R Q15761 2/20 0.37
MCL1 Q07820 6/20 0.35
MAPK1 P28482 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
METAP2 P50579 2/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL17033750 0.95 DHODH (0.38) DHODHNPY5RMCL1MAPK1TSHR
SCHEMBL17033768 0.92 NPY5R (0.37) DHODHNPY5RMCL1MAPK1TSHR
SCHEMBL17033755 0.90 TSPO (0.34) DHODHNPY5RMAPK1TSHRHSD17B10
SCHEMBL17033736 0.88 MAPT (0.34) DHODHMAPK1TSHRHSD17B10MAPT
SCHEMBL17033424 0.88 MAPT (0.35) MAPK1TSHRHSD17B10MAPTL3MBTL1
SCHEMBL17033727 0.88 HTR1A (0.35) DHODHNPY5RMCL1MAPK1TSHR
SCHEMBL17033739 0.88 DHODH (0.35) DHODHNPY5RMCL1MAPK1TSHR
SCHEMBL17033445 0.86 MCL1 (0.35) NPY5RMCL1TSHRMETAP2MAPT
SCHEMBL17033456 0.84 KDM4E (0.30) TSHRHSD17B10MAPTLMNAKDM4E
SCHEMBL12580453 0.84 DHODH (0.43) DHODHNPY5RMCL1MAPK1TSHR

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