SCHEMBL20180265

SCHEMBL20180265

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6nc(-c7ccccc7)c7ccccc76)c5)c4)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PDE5A O76074 1/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL20180250 0.94 PTGER1 (0.42) PTGER1ALDH1A1KDM4ECYP1A2GAA
SCHEMBL20615278 0.93 ALDH1A1 (0.44) PTGER1ALDH1A1NPSR1PDE5AMAPT
SCHEMBL22214570 0.93 ALDH1A1 (0.44) PTGER1ALDH1A1NPSR1PDE5AMAPT
SCHEMBL22214575 0.92 ALDH1A1 (0.45) PTGER1ALDH1A1NPSR1PDE5AMAPT
SCHEMBL20180256 0.90 PTGER1 (0.38) PTGER1ALDH1A1KDM4ECYP1A2GAA
SCHEMBL20180359 0.86 MAPT (0.42) PTGER1ALDH1A1GAANPSR1MAPT
SCHEMBL22214851 0.86 PTGER1 (0.40) PTGER1ALDH1A1NPSR1PDE5ALMNA
SCHEMBL22214571 0.86 PTGER1 (0.43) PTGER1ALDH1A1NPSR1PDE5AMAPT
SCHEMBL22214651 0.86 PTGER1 (0.40) PTGER1ALDH1A1NPSR1PDE5ALMNA
SCHEMBL20180413 0.86 MEN1 (0.44) PTGER1ALDH1A1KDM4ECYP1A2GAA

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed