SCHEMBL11214034

SCHEMBL11214034

CC(=O)CC(=O)Nc1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.76
RHOA P61586 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.45
FGF1 P05230 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MAPT P10636 2/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
LMNA P02545 1/20 0.42
ACP1 P24666 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL11436890 0.90 CASP6 (0.60) CASP6ALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL11436880 0.86 CASP6 (0.56) CASP6RHOAALDH1A1KDM4ECYP2C19
SCHEMBL7225514 0.86 CASP6 (1.00) CASP6RHOAALDH1A1KDM4ECYP1A2
SCHEMBL4107132 0.85 CASP6 (0.97) CASP6RHOAALDH1A1KDM4ECYP1A2
SCHEMBL11437973 0.82 CASP6 (0.51) CASP6ALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL10626847 0.82 CASP6 (0.76) CASP6RHOAALDH1A1KDM4ECYP2C19
SCHEMBL11792601 0.81 CASP6 (0.63) CASP6RHOAALDH1A1KDM4ECYP2C19
SCHEMBL10792852 0.81 CASP6 (0.49) CASP6ALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL26885732 0.80 CASP6 (0.73) CASP6RHOAALDH1A1KDM4ECYP1A2
SCHEMBL4303416 0.80 CASP6 (0.73) CASP6RHOAALDH1A1KDM4ECYP2C19

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
US-4348204-A COTTON, REGENERATED CELLULOSE, PAPER; TETRAKISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed