SCHEMBL20172238

SCHEMBL20172238

Nc1cccc2c1c1cccnc1n2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4A P27815 7/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
LDHA P00338 1/20 0.39
REN P00797 1/20 0.37
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL22373830 0.82 ALDH1A1 (0.48) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL17348784 0.82 FEN1 (0.46) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL17349052 0.81 KDM4E (0.47) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL5021401 0.79 KDM4E (0.61) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL18371367 0.79 L3MBTL1 (0.61) ALDH1A1TSHRKDM4EATML3MBTL1
SCHEMBL25708769 0.79 FEN1 (0.43) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL17490150 0.79 FEN1 (0.48) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL20172103 0.79 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL18958261 0.78 KDM4E (0.44) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL15436333 0.77 KDM4E (0.46) FEN1ALDH1A1TSHRCYP2C19PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed