SCHEMBL6827341

SCHEMBL6827341

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)N2CCN(C(C)c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 17/20 0.50
CA9 Q16790 17/20 0.50
CA1 P00915 13/20 0.50
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL6824860 0.90 CA12 (0.47) CA12CA9CA1ALDH1A1MAPT
SCHEMBL6824989 0.88 CA12 (0.50) CA12CA9CA1CA2
SCHEMBL6824978 0.86 CA12 (0.48) CA12CA9CA1CA2
SCHEMBL6824983 0.81 CA12 (0.43) CA12CA9CA1CA2
SCHEMBL6825234 0.81 CA9 (0.66) CA12CA9CA1ALDH1A1MAPT
SCHEMBL6821696 0.77 CA9 (0.64) CA12CA9CA1SMN1; SMN2CA2
SCHEMBL6827172 0.77 CA12 (0.63) CA12CA9CA1ALDH1A1MAPT
SCHEMBL6825144 0.76 CA9 (0.72) CA12CA9CA1ALDH1A1MAPT
SCHEMBL6821697 0.74 CA12 (0.61) CA12CA9CA1ALDH1A1MAPT
SCHEMBL6824885 0.72 CA9 (0.62) CA12CA9CA1ALDH1A1MAPT

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