SCHEMBL17033535

SCHEMBL17033535

Fc1ccc(-c2cc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.35
GRM2 Q14416 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACP1 P24666 1/20 0.31
NR3C1 P04150 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGR P06401 1/20 0.31
TOP1 P11387 2/20 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
SCHEMBL17033539 0.91 MAPT (0.32) L3MBTL1MAPK1MAPTHTTNPSR1
SCHEMBL17033705 0.91 KDM4E (0.33) L3MBTL1MAPK1MAPTHTTNPSR1
SCHEMBL17033495 0.88 DHODH (0.35) CYP19A1
SCHEMBL17033721 0.85 POLB (0.32) ALDH1A1HPGDKDM4E
SCHEMBL17033734 0.84 MAPK1 (0.41) L3MBTL1MAPK1MAPTHTTNPSR1
SCHEMBL17033479 0.84 FLT3 (0.33) L3MBTL1MAPTALDH1A1HPGDKMT2A
SCHEMBL16066176 0.84 ALDH1A1 (0.51) L3MBTL1MAPK1MAPTHTTNPSR1
SCHEMBL16066667 0.82 ALDH1A1 (0.47) L3MBTL1MAPK1MAPTHTTNPSR1
SCHEMBL17033631 0.81 MAPK1 (0.40) L3MBTL1MAPK1MAPTHTTNPSR1
SCHEMBL16066476 0.81 ALDH1A1 (0.48) L3MBTL1MAPK1MAPTHTTNPSR1

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