SCHEMBL29246343

SCHEMBL29246343

CCOC(=O)Cc1c(C(F)(F)C(=O)OCC)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTR6 P50406 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR1F P30939 1/20 0.43
▸ HTR7 P34969 1/20 0.43

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
SCHEMBL9811674 0.89 KDM4E (0.58) KDM4ELMNAPKMALDH1A1HSD17B10
SCHEMBL29246342 0.86 KDM4E (0.46) KDM4ELMNAPKMALDH1A1HSD17B10
SCHEMBL29246362 0.84 EGFR (0.56) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL29246503 0.82 HTR6 (0.45) KDM4ELMNAALDH1A1HPGDHTR6
SCHEMBL29246399 0.79 ALDH1A1 (0.46) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL1165573 0.79 KDM4E (0.68) KDM4ELMNAPKMALDH1A1HSD17B10
SCHEMBL31487317 0.79 KDM4E (0.68) KDM4ELMNAPKMALDH1A1HSD17B10
SCHEMBL5198795 0.78 KDM4E (0.64) KDM4ELMNAPKMALDH1A1HSD17B10
SCHEMBL9536890 0.77 LMNA (0.62) KDM4ELMNAPKMALDH1A1HSD17B10
SCHEMBL4438241 0.77 KDM4E (0.62) KDM4ELMNAPKMALDH1A1HSD17B10

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-118307461-A Preparation method of light-induced palladium-catalyzed difluoro methylene indole compound 大连理工大学 2024-07-09 — — CN disclosed
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