SCHEMBL16613306

SCHEMBL16613306

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4ccoc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.31
PTGES O14684 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHODH Q02127 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL16613305 0.98 HPGD (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613398 0.94 PIK3CD (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613375 0.89 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613307 0.89 BRD4 (0.34) ALDH1A1HPGDKDM4EMAPTPIK3CD
SCHEMBL16613671 0.88 HPGD (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613376 0.86 PIK3CD (0.32) ALDH1A1HPGDKDM4EMAPTPIK3CD
SCHEMBL31678 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613768 0.86 HPGD (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613374 0.85 PIK3CD (0.31) ALDH1A1HPGDKDM4EMAPTPIK3CD
SCHEMBL16613389 0.83 PIK3CD (0.30) PIK3CDPIK3CARORC

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