SCHEMBL29068529

SCHEMBL29068529

CCC(C)N(C)c1ccc2c(c1)-c1cc(C)c(Nc3ccccc3)cc1C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
NPY5R Q15761 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL30572833 1.00 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572807 0.89 GAA (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068524 0.89 GAA (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9403766 0.83 GAA (0.38) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL30572800 0.83 GAA (0.38) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL29068460 0.83 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572823 0.83 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7888419 0.82 RPS6KA2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068510 0.82 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572799 0.82 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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