SCHEMBL29040337

SCHEMBL29040337

O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc3cc(O)ccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 1.00
TOP2B Q02880 2/20 1.00
MMP1 P03956 15/20 0.70
MMP2 P08253 15/20 0.70
MMP9 P14780 15/20 0.70
DEGS1 O15121 1/20 0.70
EGFR P00533 5/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
HSD17B1 P14061 1/20 0.57

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
SCHEMBL29040338 1.00 TOP2A (1.00) TOP2ATOP2BMMP1MMP2MMP9
SCHEMBL3015874 0.86 TOP2A (0.76) TOP2ATOP2BMMP1MMP2MMP9
SCHEMBL3015879 0.86 TOP2A (0.76) TOP2ATOP2BMMP1MMP2MMP9
SCHEMBL9988800 0.83 MMP1 (1.00) TOP2ATOP2BMMP1MMP2MMP9
SCHEMBL9988799 0.83 MMP1 (1.00) TOP2ATOP2BMMP1MMP2MMP9
SCHEMBL11590995 0.80 EGFR (0.92) TOP2AMMP1MMP2MMP9DEGS1
N-Phenylcinnamamide SCHEMBL4205896 0.77 MMP1 (1.00) MMP1MMP2MMP9DEGS1EGFR
N-Phenylcinnamamide SCHEMBL3667414 0.77 MMP1 (1.00) MMP1MMP2MMP9DEGS1EGFR
N-Phenylcinnamamide SCHEMBL2682029 0.77 MMP1 (1.00) MMP1MMP2MMP9DEGS1EGFR
SCHEMBL9990629 0.76 MMP1 (1.00) MMP1MMP2MMP9DEGS1EGFR

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
CN-115260052-B 2-phenyl naphthalene derivative and preparation method and application thereof 山东大学 2023-07-25 CN disclosed
CN-115260052-A 2-phenylnaphthalene derivative and preparation method and application thereof 山东大学 2022-11-01 CN disclosed