SCHEMBL27344950

SCHEMBL27344950

CC1(C)OB(c2cccc3c2ccc2ccc4ncccc4c23)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
NCOA1 Q15788 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
EGFR P00533 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 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
SCHEMBL481508 0.83 MAPT (0.42) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL29982045 0.83 MAPT (0.42) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL2674238 0.81 CYP1A2 (0.41) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL14884186 0.81 CYP3A4 (0.40) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL31577390 0.80 LMNA (0.44) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL17413793 0.80 LMNA (0.44) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL27344618 0.80 EGFR (0.44) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL27345065 0.79 CYP3A4 (0.41) CYP3A4MAPTLMNAMEN1KMT2A
SCHEMBL9943513 0.76 CYP1A2 (0.37) CYP3A4MAPTKDM4ECYP1A2HSD17B10
SCHEMBL27344335 0.76 CYP3A4 (0.41) CYP3A4MAPTLMNAMEN1KMT2A

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