SCHEMBL16613413

SCHEMBL16613413

CC1(C)C=Cc2c(-c3ccc(-c4ccccc4)cc3)nc(-n3c4ccccc4c4ccccc43)nc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
DHODH Q02127 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
NPY5R Q15761 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16613476 0.97 KDM4E (0.34) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613334 0.93
SCHEMBL16613432 0.92 TP53 (0.30) MAPT
SCHEMBL16613809 0.91 KDM4E (0.36) KDM4EALDH1A1NPY5RL3MBTL1ATM
SCHEMBL16613765 0.89
SCHEMBL16613745 0.89 KDM4E (0.37) KDM4EALDH1A1NPY5RL3MBTL1ATM
SCHEMBL16613436 0.88 L3MBTL1 (0.32) KMT2AL3MBTL1ATMMEN1
SCHEMBL16613433 0.88
SCHEMBL16613477 0.88 ENPP3 (0.34)
SCHEMBL16613675 0.87 PTGER4 (0.35) KDM4ENPY5RL3MBTL1ATM

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed