SCHEMBL16613283

SCHEMBL16613283

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cocc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NUDT1 P36639 3/20 0.36
ADORA2A P29274 2/20 0.36
DHODH Q02127 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CFTR P13569 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL16613396 0.97 KDM4E (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613373 0.92 KDM4E (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613372 0.91 KDM4E (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613288 0.88 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL8819714 0.87 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613352 0.86 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613278 0.86 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613286 0.85 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL12015686 0.84 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613387 0.81 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1

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