SCHEMBL16066481

SCHEMBL16066481

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n7c8ccccc8nc67)c54)n3)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KMT2A Q03164 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FLT3 P36888 2/20 0.35
BCL2 P10415 1/20 0.34
BMX P51813 1/20 0.34
CYP1A2 P05177 3/20 0.34
MEN1 O00255 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CAMKK1 Q8N5S9 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34

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
SCHEMBL16066477 0.92 MAPT (0.36) DHODHMAPTKDM4EPOLBHSD17B10
SCHEMBL16066784 0.91 DHODH (0.38) DHODHMAPTKDM4EPOLBHSD17B10
SCHEMBL16066530 0.90 HPGD (0.43) DHODHMAPTKDM4EPOLBHSD17B10
SCHEMBL16066375 0.90 HPGD (0.45) MAPTKDM4EPOLBHSD17B10LMNA
SCHEMBL16066796 0.89 DHODH (0.39) DHODHMAPTKDM4EPOLBHSD17B10
SCHEMBL16066159 0.89 DHODH (0.41) DHODHMAPTKDM4EPOLBHSD17B10
SCHEMBL16066476 0.88 ALDH1A1 (0.48) MAPTKDM4EPOLBHSD17B10LMNA
SCHEMBL16066345 0.88 KDM4E (0.36) DHODHMAPTKDM4EPOLBHSD17B10
SCHEMBL16066482 0.86 MAPT (0.39) MAPTKDM4EPOLBHSD17B10LMNA
SCHEMBL16066631 0.86 DHODH (0.39) DHODHMAPTKDM4EPOLBHSD17B10

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