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SCHEMBL6821697

SCHEMBL6821697

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC(=O)c2cc3ccccc3cc2NC(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 15/20 0.61
▸ CA9 Q16790 15/20 0.61
▸ CA1 P00915 9/20 0.60
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 1/20 0.48

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
SCHEMBL6827172 0.90 CA12 (0.63) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6821696 0.88 CA9 (0.64) CA12CA9CA1
SCHEMBL6825234 0.86 CA9 (0.66) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6824792 0.81 CA9 (0.74) CA12CA9CA1
SCHEMBL6825173 0.81 CA12 (0.60) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6825144 0.81 CA9 (0.72) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6824885 0.79 CA9 (0.62) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6821736 0.78 KDM4E (0.54) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6824475 0.77 MEN1 (0.58) CA12CA9CA1KDM4EALDH1A1
SCHEMBL6827341 0.74 CA12 (0.50) CA12CA9CA1KDM4EALDH1A1

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
WO-2004099127-A1 NOVEL COMPOUNDS AS KINASE INHIBITORS NOVO NORDISK A/S (DK) 2004-11-18 — — WO claimed
WO-2004099127-A1 NOVEL COMPOUNDS AS KINASE INHIBITORS NOVO NORDISK A/S (DK) 2004-11-18 — — WO disclosed