SCHEMBL17033828

SCHEMBL17033828

Fc1ccc(-c2cc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4c3ccc3cc5c6ccccc6c6ccccc6n5c34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP19A1 P11511 1/20 0.36
GRM2 Q14416 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK14 Q16539 2/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTK2B Q14289 1/20 0.32
MGAM O43451 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
SCHEMBL17033810 0.91 MAPT (0.33) MAPK1MAPTL3MBTL1HTTNPSR1
SCHEMBL17033557 0.91 MAPT (0.33) MAPK1MAPTL3MBTL1HTTNPSR1
SCHEMBL17033824 0.88 MAPK1 (0.41) MAPK1MAPTL3MBTL1HTTNPSR1
SCHEMBL17033864 0.87 DHODH (0.36) MAPK1HSD17B10TSHR
SCHEMBL17033631 0.87 MAPK1 (0.40) MAPK1MAPTL3MBTL1HTTNPSR1
SCHEMBL17033572 0.85 PTGES (0.30)
SCHEMBL17033542 0.82 MAPK1 (0.41) MAPK1MAPTL3MBTL1HTTNPSR1
SCHEMBL17033408 0.81 MAPK1 (0.41) MAPK1MAPTL3MBTL1HTTNPSR1
SCHEMBL17033844 0.81 MEN1 (0.31) MAPTHPGDKMT2AALDH1A1KDM4E
SCHEMBL17033734 0.81 MAPK1 (0.41) MAPK1MAPTL3MBTL1HTTNPSR1

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