SCHEMBL21022650

SCHEMBL21022650

N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 1/20 0.40
TSPO P30536 1/20 0.38
CYP19A1 P11511 1/20 0.36
PTGER4 P35408 1/20 0.35
METAP2 P50579 1/20 0.35
ALDH1A3 P47895 1/20 0.34
DNM1 Q05193 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTPN5 P54829 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL21022644 1.00 KDM4E (0.41) KDM4EATML3MBTL1PGRTSPO
SCHEMBL21984914 1.00 KDM4E (0.41) KDM4EATML3MBTL1PGRTSPO
SCHEMBL23058129 0.97 L3MBTL1 (0.46) KDM4EATML3MBTL1PGRTSPO
SCHEMBL21022646 0.96 ATM (0.41) KDM4EATML3MBTL1PGRTSPO
SCHEMBL21984601 0.96 ATM (0.41) KDM4EATML3MBTL1PGRTSPO
SCHEMBL21022643 0.96 ATM (0.41) KDM4EATML3MBTL1PGRTSPO
SCHEMBL15250659 0.95 L3MBTL1 (0.49) KDM4EATML3MBTL1PGRTSPO
SCHEMBL23348427 0.93 PGR (0.41) KDM4EATML3MBTL1PGRTSPO
SCHEMBL21388945 0.93 KDM4E (0.42) KDM4EATML3MBTL1PGRTSPO
SCHEMBL17950377 0.93 KDM4E (0.41) KDM4EATML3MBTL1PGRTSPO

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
US-20190157570-A1 COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM SAMSUNG ELECTRONICS CO LTD (KR) 2019-05-23 US disclosed