SCHEMBL20180240

SCHEMBL20180240

c1ccc(-c2ccc3c(ccn3-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.42
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
HSD11B1 P28845 1/20 0.41
PLA2G4A P47712 1/20 0.39
TET2 Q6N021 1/20 0.39
TET1 Q8NFU7 1/20 0.39
NR3C1 P04150 1/20 0.37
COMT P21964 1/20 0.37
HPGD P15428 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL22515735 0.90 HTR6 (0.47) HTR6ROCK2PIM1PIM3HSD11B1
SCHEMBL20180534 0.89 BIRC5 (0.44) ROCK2PIM1PIM3TET2TET1
SCHEMBL15021166 0.87 BIRC5 (0.45) HTR6ROCK2PIM1PIM3TET2
SCHEMBL20180418 0.86 TET2 (0.36) ROCK2PIM1PIM3PLA2G4ATET2
SCHEMBL22649091 0.85 BIRC5 (0.46) ROCK2PIM1PIM3PLA2G4ATET2
SCHEMBL22649094 0.84 HTR6 (0.47) HTR6HSD11B1NR3C1HPGDMEN1
SCHEMBL22515915 0.84 KMT2A (0.44) HTR6HSD11B1PLA2G4ANR3C1HPGD
SCHEMBL22515750 0.84 HTR6 (0.49) HTR6ROCK2PIM1PIM3HSD11B1
SCHEMBL22355026 0.82 KDM4E (0.40) HTR6ROCK2PIM1PIM3HSD11B1
SCHEMBL15021576 0.82 BIRC5 (0.49) ROCK2PIM1PIM3PLA2G4ATET2

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