SCHEMBL16613538

SCHEMBL16613538

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4c3ccn4-c3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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
SCHEMBL16613632 0.98 KDM4E (0.33) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613634 0.94 RXFP1 (0.31) RXFP1
SCHEMBL16613633 0.92
SCHEMBL16613495 0.90
SCHEMBL16613661 0.90
SCHEMBL16613256 0.89 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613581 0.88 RXFP1 (0.31) RXFP1
SCHEMBL16613494 0.87 ALDH1A1 (0.31) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL16613289 0.86 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL16613464 0.85 ALDH1A1 (0.31) ALDH1A1

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