SCHEMBL23874653

SCHEMBL23874653

c1ccc(-n2c3cccc4c5cccc6sc7ccc8c(c7c65)c5c(c43)c2ccc5n8-c2nc3ccccc3nc2-c2cccc3sc4ccccc4c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDE1B Q01064 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23875046 0.90 SIRT2 (0.30) GSR
SCHEMBL23874652 0.89 HSD17B10 (0.34) GSRCYP1A2PDE1BPDE3APDE11A
SCHEMBL23031033 0.85 KDM4E (0.32) GSRCYP1A2KDM4EATML3MBTL1
SCHEMBL23874802 0.85 ALOX5 (0.33) GSRCYP1A2KDM4EATML3MBTL1
SCHEMBL23031019 0.85 CYP1A2 (0.34) CYP1A2
SCHEMBL22988946 0.84 CYP1A2 (0.36) GSRCYP1A2
SCHEMBL21454972 0.84 KDM4E (0.36) GSRCYP1A2PDE1BPDE3APDE11A
SCHEMBL23874687 0.83 HSD17B10 (0.36) GSRKDM4EL3MBTL1NPC1LMNA
SCHEMBL19653884 0.82 KDM4E (0.35) GSRCYP1A2PDE1BPDE3APDE11A
SCHEMBL24596489 0.81 KDM4E (0.37) GSRCYP1A2KDM4EATML3MBTL1

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-20210305519-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-09-30 US disclosed