SCHEMBL28969092

SCHEMBL28969092

Cc1cc2ccc3c(Cl)nccc3c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
APEX1 P27695 1/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
HIPK2 Q9H2X6 3/20 0.37
CCR1 P32246 3/20 0.36
CCR8 P51685 3/20 0.36
POLB P06746 1/20 0.36
CCR5 P51681 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
DYRK1A Q13627 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
PARG Q86W56 1/20 0.34
GRM4 Q14833 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL30353608 1.00 CYP3A4 (0.56) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL15427882 0.85 CYP3A4 (0.40) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL22167052 0.83 LMNA (0.46) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL29228475 0.82 LMNA (0.61) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL30960545 0.82 LMNA (0.61) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL30038739 0.78 MAPT (0.65) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL27246717 0.78 MAPT (0.65) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL31476479 0.77 MAPT (0.54) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL23557300 0.75 MAPT (0.61) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL21870525 0.75 MAPT (0.61) CYP3A4LMNAMAPTAPEX1MAPK1

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
CN-115820243-A Composition, layer including the composition, light emitting device including the composition, and electronic device including the light emitting device 三星电子株式会社 2023-03-21 CN disclosed