SCHEMBL16066478

SCHEMBL16066478

COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n6c7ccccc7nc56)c43)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SYK P43405 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CNR2 P34972 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL16066668 0.91 CYP1A1 (0.41) FLT3CYP1A1CYP1A2CYP1B1SYK
SCHEMBL16066479 0.89 KDM4E (0.45) CYP1A2MAPTKDM4ETP53LMNA
SCHEMBL16066367 0.89 KDM4E (0.47) CYP1A2MAPTKDM4ETP53LMNA
SCHEMBL16066745 0.89 FLT3 (0.42) FLT3CYP1A1CYP1A2CYP1B1SYK
SCHEMBL16066197 0.89 CYP1A1 (0.44) FLT3CYP1A1CYP1A2CYP1B1SYK
SCHEMBL16066483 0.88 KDM4E (0.39) CYP1A2MAPTKDM4ETP53LMNA
SCHEMBL16066648 0.86 FLT3 (0.42) FLT3CYP1A1CYP1A2CYP1B1SYK
SCHEMBL16066477 0.84 MAPT (0.36) CYP1A2MAPTKDM4ETP53LMNA
SCHEMBL16066180 0.84 KDM4E (0.45) CYP1A2MAPTKDM4ETP53LMNA
SCHEMBL16067007 0.83 FLT3 (0.43) FLT3CYP1A1CYP1A2CYP1B1SYK

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed