SCHEMBL16613268

SCHEMBL16613268

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4cn(-c5ccccc5)cc34)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL16613267 0.94 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613266 0.94 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613377 0.90 KDM4E (0.31) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613379 0.89 KDM4E (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613316 0.88 MAPT (0.31) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613296 0.88 KDM4E (0.31) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613291 0.86 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613314 0.85 CNR1 (0.31) KDM4EL3MBTL1
SCHEMBL16613271 0.84 KDM4E (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16613378 0.84 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