SCHEMBL17033802

SCHEMBL17033802

c1ccc(-n2c3ccccc3c3cc(-c4ccnc(-n5c6ccccc6c6c7cc8c9ccccc9c9ccccc9n8c7ccc65)c4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGER4 P35408 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
TSPO P30536 1/20 0.31
KMT2A Q03164 1/20 0.30
ACVR1 Q04771 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 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
SCHEMBL17033852 0.90 PDE4A (0.37) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17033544 0.89 KDM4E (0.39) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17033742 0.87 KDM4E (0.39) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL15034572 0.86 KDM4E (0.47) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17033409 0.86 KDM4E (0.38) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL17432424 0.85 L3MBTL1 (0.49) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL19570268 0.83 L3MBTL1 (0.46) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL15073667 0.83 L3MBTL1 (0.42) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL15626403 0.83 L3MBTL1 (0.46) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL16178850 0.83 L3MBTL1 (0.46) 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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed