SCHEMBL22809252

SCHEMBL22809252

CCc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PARP1 P09874 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPK8 P45983 1/20 0.38
APOBEC3G Q9HC16 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC4 P56524 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TP53 P04637 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
SCHEMBL7100416 0.92 KDM4E (0.53) KDM4EATML3MBTL1POLBNPC1
SCHEMBL10067476 0.90 KDM4E (0.59) KDM4EATML3MBTL1POLBNPC1
SCHEMBL7601627 0.87 KDM4E (0.48) KDM4EATML3MBTL1POLBNPC1
SCHEMBL10100830 0.86 L3MBTL1 (0.64) KDM4EATML3MBTL1POLBPTPN1
SCHEMBL20058327 0.85 KDM4E (0.36) KDM4EATML3MBTL1POLBPARP1
SCHEMBL18406157 0.84 KDM4E (0.40) KDM4EATML3MBTL1POLBPTPN1
SCHEMBL10029892 0.84 KDM4E (0.46) KDM4EATML3MBTL1POLBNPC1
SCHEMBL14416349 0.84 L3MBTL1 (0.61) KDM4EATML3MBTL1POLBPTPN1
SCHEMBL14416364 0.84 L3MBTL1 (0.61) KDM4EATML3MBTL1POLBPTPN1
SCHEMBL25624779 0.83 KDM4E (0.52) KDM4EATML3MBTL1POLBNPC1

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-3372593-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-12-23 EP disclosed