SCHEMBL21673067

SCHEMBL21673067

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
PDE9A O76083 1/20 0.45
PDE1C Q14123 1/20 0.45
AR P10275 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
PGR P06401 1/20 0.44
RORC P51449 7/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER4 P35408 3/20 0.42
P2RX4 Q99571 1/20 0.42
TSPO P30536 1/20 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
SCHEMBL15248236 0.89 ATM (0.53) PGRRORCKDM4EATML3MBTL1
SCHEMBL15248234 0.89 ATM (0.53) PGRRORCKDM4EATML3MBTL1
SCHEMBL15248723 0.89 ATM (0.53) PGRRORCKDM4EATML3MBTL1
SCHEMBL18566499 0.89 ATM (0.53) PGRRORCKDM4EATML3MBTL1
SCHEMBL15248231 0.88 KDM4E (0.51) PGRRORCKDM4EATML3MBTL1
SCHEMBL15248304 0.88 KDM4E (0.51) PGRRORCKDM4EATML3MBTL1
SCHEMBL15248232 0.88 KDM4E (0.51) PGRRORCKDM4EATML3MBTL1
SCHEMBL15250633 0.86 ATM (0.50) PGRRORCKDM4EATML3MBTL1
SCHEMBL15250588 0.86 KDM4E (0.50) PGRRORCKDM4EATML3MBTL1
SCHEMBL15250658 0.86 ATM (0.53) PGRRORCKDM4EATML3MBTL1

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
EP-2790239-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2020-02-05 EP disclosed