SCHEMBL16613671

SCHEMBL16613671

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccoc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.39
DHODH Q02127 2/20 0.35
POLB P06746 3/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 2/20 0.33
PIK3R1 P27986 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16613768 0.97 HPGD (0.43) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613665 0.92 PIK3CA (0.39) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613743 0.91 PIK3CA (0.38) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613471 0.90 KDM4E (0.39) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613399 0.88 KDM4E (0.40) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613306 0.88 ALDH1A1 (0.35) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613611 0.87 ALDH1A1 (0.37) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613613 0.87 ALDH1A1 (0.37) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613672 0.86 ENPP1 (0.40) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL16613500 0.85 KDM4E (0.38) HPGDALDH1A1KDM4ENPSR1MAPT

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