SCHEMBL27340445

SCHEMBL27340445

c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4cc5ccc6ccccc6c5c5ccncc45)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B2 P19099 1/20 0.45
TNF P01375 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK10 P53779 4/20 0.41
MAPK9 P45984 3/20 0.38
MAPK8 P45983 2/20 0.38
PRKCZ Q05513 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
TDO2 P48775 2/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL27340779 0.92 CYP11B1 (0.43) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL27341423 0.87 TDO2 (0.41) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL27330145 0.87 CYP11B1 (0.46) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL19167864 0.86 MAPT (0.54) CYP11B1TNFKDM4EALDH1A1MAPT
SCHEMBL27340227 0.86 TNF (0.42) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL27340217 0.86 TNF (0.42) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL19167163 0.85 CYP11B1 (0.54) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL19167863 0.85 CYP11B1 (0.54) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL27343921 0.85 TNF (0.45) CYP11B1CYP17A1CYP19A1CYP11B2TNF
SCHEMBL19168464 0.84 MAPT (0.50) CYP11B1TNFKDM4EALDH1A1MAPT

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-2024005486-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2024-01-04 WO disclosed