SCHEMBL16613498

SCHEMBL16613498

CC1(C)C=c2nc(-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)c2=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 6/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 2/20 0.31
NPY5R Q15761 1/20 0.31
TSHR P16473 2/20 0.31
PDE10A Q9Y233 1/20 0.31
PTGER1 P34995 1/20 0.30
ALPL P05186 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
SCHEMBL16613340 0.97 KDM4E (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613425 0.93 KDM4E (0.30) KDM4EL3MBTL1ATM
SCHEMBL16613499 0.92
SCHEMBL16613341 0.90 KDM4E (0.30) KDM4EL3MBTL1ATM
SCHEMBL16613442 0.90 L3MBTL1 (0.33) KDM4ENPSR1L3MBTL1ATMLMNA
SCHEMBL16613415 0.89
SCHEMBL16613337 0.87 ENPP3 (0.35)
SCHEMBL16613416 0.87
SCHEMBL16613356 0.85 TUBB4A (0.34)
SCHEMBL16613418 0.84 TUBB4A (0.36) KDM4EALDH1A1HPGDMAPT

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