SCHEMBL16613313

SCHEMBL16613313

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5ccccc54)nc4c3ccn4-c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
IL1R1 P14778 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HKDC1 Q2TB90 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
SCHEMBL16613364 0.94 KDM4E (0.36) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613256 0.93 L3MBTL1 (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613289 0.92 KDM4E (0.41) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613519 0.92 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL16613242 0.89 KDM4E (0.31) KDM4EL3MBTL1ATM
SCHEMBL16613634 0.89 RXFP1 (0.31) RXFP1
SCHEMBL16613584 0.88 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL16613637 0.88 L3MBTL1 (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613365 0.87 TUBB4A (0.34) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613539 0.87 TUBB4A (0.38) KDM4EL3MBTL1ATMRXFP1NPC1

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