SCHEMBL16613319

SCHEMBL16613319

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cn(-c5ccccc5)cc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 3/20 0.39
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA2A P29274 1/20 0.34
NUDT1 P36639 1/20 0.34
DHODH Q02127 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL16613298 0.97 KDM4E (0.44) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613379 0.93 KDM4E (0.38) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613271 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613267 0.89 ALDH1A1 (0.36) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613272 0.88 KDM4E (0.35) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613380 0.88 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613292 0.88 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613315 0.86 TUBB4A (0.35) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613266 0.86 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL16613279 0.84 KDM4E (0.34) KDM4EALDH1A1HPGDNPSR1MAPT

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