SCHEMBL29068462

SCHEMBL29068462

CCN(CC)c1ccc2c(c1)Cc1ccc(N(C)c3ccc(C)cc3)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
S100B P04271 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 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
SCHEMBL11646164 0.89 HSD17B10 (0.49) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8666976 0.87 HSD17B10 (0.44) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8863601 0.87 CYP3A4 (0.48) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22588929 0.85 METAP1 (0.40) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6259364 0.84 S100B (0.43) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29385647 0.82 ALDH1A1 (0.49) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4894950 0.82 CYP3A4 (0.53) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4897902 0.82 ALDH1A1 (0.49) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29068539 0.80 MAPT (0.40) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29068497 0.80 MAPT (0.50) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9

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-116745115-A Laminate, card and case 索尼集团公司 2023-09-12 CN disclosed