SCHEMBL22672113

SCHEMBL22672113

c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)cc3c2oc2ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 2/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.34
RXFP1 Q9HBX9 3/20 0.34
PPARG P37231 2/20 0.34
NR2E3 Q9Y5X4 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
LMNA P02545 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL10038511 0.98 KDM4E (0.41) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL22672111 0.97 ALOX5 (0.40) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL5030204 0.97 ALOX5 (0.40) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18850921 0.94 ALOX5 (0.38) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18851254 0.94 ALOX5 (0.38) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18850923 0.94 ALOX5 (0.38) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18851259 0.94 ALOX5 (0.38) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL17166664 0.93 KDM4E (0.41) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18020869 0.93 ALOX5 (0.40) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL5029954 0.93 KDM4E (0.45) KDM4EATML3MBTL1ALOX5ALDH1A1

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-20200365811-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND COMPOSITION FILM IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed