SCHEMBL23085147

SCHEMBL23085147

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)ccc%11n%12-c%11cc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)ccn%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc54)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PTGER4 P35408 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
KHK P50053 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 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
SCHEMBL6373676 1.00 KDM4E (0.40) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17483384 0.97 KDM4E (0.43) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17483383 0.97 KDM4E (0.43) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17879106 0.92 PDE4A (0.40) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL20060784 0.91 KDM4E (0.42) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL18253727 0.91 KDM4E (0.44) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL16659219 0.90 KDM4E (0.43) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL16176099 0.89 L3MBTL1 (0.50) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL20251577 0.89 L3MBTL1 (0.50) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL20060776 0.89 KDM4E (0.40) KDM4EATML3MBTL1PDE4APDE4B

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-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed