SCHEMBL29068510

SCHEMBL29068510

CCCN(C)c1ccc2c(c1)-c1cc(C)c(Nc3ccccc3)cc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 2/20 0.34
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
ATM Q13315 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 1/20 0.31
CSNK1D P48730 1/20 0.31
MAPK11 Q15759 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
SCHEMBL30572799 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9403766 0.85 GAA (0.38) CYP1A2CYP3A4CYP2D6CYP2C19GAA
SCHEMBL30572800 0.85 GAA (0.38) CYP1A2CYP3A4CYP2D6CYP2C19GAA
SCHEMBL29068460 0.85 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572823 0.85 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9751897 0.85 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7888419 0.84 RPS6KA2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10428266 0.84 ICMT (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068524 0.83 GAA (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572807 0.83 GAA (0.35) 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