SCHEMBL22112883

SCHEMBL22112883

c1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6ccccc6c45)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.34
BACE1 P56817 1/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G4A P47712 1/20 0.33
HDAC4 P56524 1/20 0.33
PPARG P37231 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
SCHEMBL18779519 0.99 KDM4E (0.46) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL20277130 0.97 KDM4E (0.42) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18779541 0.95 L3MBTL1 (0.43) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL26060130 0.95 KDM4E (0.43) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL16545689 0.95 L3MBTL1 (0.43) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18779509 0.95 L3MBTL1 (0.43) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL20159477 0.95 KDM4E (0.45) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL20392246 0.95 KDM4E (0.41) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL18849974 0.95 KDM4E (0.45) KDM4EATML3MBTL1ALOX5ALDH1A1
SCHEMBL20159399 0.95 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
WO-2020122576-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER 엘티소재주식회사 2020-06-18 WO disclosed