SCHEMBL29169443

SCHEMBL29169443

CCN(CC)c1ccc2cc(/C=C/C(=O)Nc3ccc(C)cc3)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.57
▸ MEN1 O00255 9/20 0.57
▸ KMT2A Q03164 9/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ HPGD P15428 4/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ PLK1 P53350 1/20 0.52
▸ ATM Q13315 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAOB P27338 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SLC16A3 O15427 1/20 0.51

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
SCHEMBL30782948 1.00 MAPT (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29169458 0.92 MAPT (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30782947 0.92 MAPT (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30782946 0.91 MAPT (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29169478 0.91 MAPT (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29169444 0.89 MEN1 (0.54) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30782951 0.89 MEN1 (0.54) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29169445 0.82 MEN1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28386211 0.82 MEN1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29169476 0.82 MEN1 (0.69) MAPTMEN1KMT2AALDH1A1KDM4E

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-117700389-A Synthesis and anti-tumor activity research of novel coumarin structure-containing drug small molecules 长春工业大学 2024-03-15 — — CN disclosed
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