SCHEMBL22698683

SCHEMBL22698683

Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cncc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c5c4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN11 Q06124 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 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
SCHEMBL22698438 0.91 KDM4E (0.33) PTGER4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL17252964 0.90 KDM4E (0.36) PTGER4L3MBTL1KMT2AKDM4ESIRT2
SCHEMBL22698398 0.89 L3MBTL1 (0.34) PTGER4L3MBTL1PIK3CDPIK3CAPIK3CB
SCHEMBL19039074 0.88 ALDH1A1 (0.38) PTGER4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL22257927 0.87 PTGER4 (0.39) PTGER4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL27340185 0.87 PTGER4 (0.34) PTGER4L3MBTL1KDM4ESIRT2SIRT1
SCHEMBL24275997 0.86 PTGER4 (0.36) PTGER4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL22257714 0.85 ALDH1A1 (0.36) PTGER4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL17253009 0.84 PTGER4 (0.38) PTGER4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL22258009 0.84 PTGER4 (0.37) PTGER4ALDH1A1POLBL3MBTL1MEN1

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-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed