SCHEMBL25629432

SCHEMBL25629432

Cc1cc(-c2c3cc4c(cc3c(-c3cc(C)c(C#N)c(C)c3)c3c5cccc6cccc(c23)c65)c2cc3ccccc3c3cccc4c32)cc(C)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
CYP1A2 P05177 5/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
FYN P06241 2/20 0.34
ACHE P22303 2/20 0.34
AHR P35869 2/20 0.34
ERBB2 P04626 1/20 0.34
MAOA P21397 1/20 0.34
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 5/20 0.32
MAPT P10636 4/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 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
SCHEMBL25642001 0.81 CYP1A2 (0.36) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL17487143 0.80 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL17487139 0.80 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL22823937 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL17490295 0.80 CA1 (0.37) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL17490296 0.80 CA1 (0.37) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL22824161 0.80 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL22824163 0.79 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL15960555 0.79 CA1 (0.39) ALDH1A1CYP1A2HPGDHSD17B10FYN
SCHEMBL22824164 0.78 CA1 (0.40) ALDH1A1CYP1A2HPGDHSD17B10FYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200216-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2023-06-22 US disclosed
US-20230200216-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2023-06-22 US disclosed