SCHEMBL19618565

SCHEMBL19618565

c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc45)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
ACACA Q13085 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGES O14684 1/20 0.39
ELANE P08246 2/20 0.39

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
SCHEMBL19618567 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL19618569 0.95 KDM4E (0.40) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL19618566 0.94 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL19618561 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL19618560 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL13554130 0.90 L3MBTL1 (0.51) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL19618563 0.89 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL16785804 0.89 ACACA (0.50) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL17228150 0.89 L3MBTL1 (0.50) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL6374944 0.89 L3MBTL1 (0.50) ALDH1A1KDM4EMAPTHPGDMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed