SCHEMBL19618538

SCHEMBL19618538

c1ccc(-c2cc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc5ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 5/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ACACA Q13085 3/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ELANE P08246 1/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL19618519 1.00 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL19618542 0.93 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL19618527 0.92 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL19618516 0.91 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL19618523 0.91 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL19618525 0.87 EGFR (0.41) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL15863960 0.86 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL19618513 0.86 PIK3CA (0.44) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL30709597 0.85 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL22126416 0.85 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDMAPK1

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