SCHEMBL16066477

SCHEMBL16066477

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n7c8ccccc8nc67)c54)n3)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
KDM4E B2RXH2 5/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DHODH Q02127 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
BCL2 P10415 1/20 0.34
PPP1CA P62136 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 4/20 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
SCHEMBL16066481 0.92 DHODH (0.39) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066345 0.92 KDM4E (0.36) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066651 0.91 KDM4E (0.36) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066704 0.89 KDM4E (0.37) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066158 0.89 KDM4E (0.38) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066479 0.88 KDM4E (0.45) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066367 0.88 KDM4E (0.47) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066615 0.86 KDM4E (0.36) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066483 0.86 KDM4E (0.39) MAPTKDM4EPOLBLMNATP53
SCHEMBL16066146 0.85 KDM4E (0.34) MAPTKDM4EPOLBLMNATP53

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