SCHEMBL4544035

SCHEMBL4544035

COc1ccc(CN/N=C/c2ccc[n+](CCCS(=O)(=O)[O-])c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HTT P42858 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.34
CXCR3 P49682 1/20 0.34
AURKA O14965 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL4544038 1.00 PABPC1 (0.40) PABPC1EIF4HCTDSP1HTTCA12
SCHEMBL4544042 0.90 HTT (0.36) HTTCA12CA1CA2CA9
SCHEMBL3934875 0.86 PABPC1 (0.41) PABPC1EIF4HCTDSP1CA12CA1
SCHEMBL3934874 0.86 PABPC1 (0.41) PABPC1EIF4HCTDSP1CA12CA1
SCHEMBL3936720 0.83 KMT2A (0.40) PABPC1EIF4HCTDSP1CA12CA1
SCHEMBL3936718 0.83 KMT2A (0.40) PABPC1EIF4HCTDSP1CA12CA1
SCHEMBL3931428 0.79 PABPC1 (0.40) PABPC1EIF4HCTDSP1HTTCA12
SCHEMBL3931431 0.79 PABPC1 (0.40) PABPC1EIF4HCTDSP1HTTCA12
SCHEMBL3934157 0.76 PABPC1 (0.37) PABPC1EIF4HCTDSP1CA12CA2
SCHEMBL3934151 0.76 PABPC1 (0.37) PABPC1EIF4HCTDSP1CA12CA2

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
EP-1847250-B1 Agents for colouring keratin fibres comprising zwitterionic azomethine dyes PROCTER & GAMBLE (US) 2009-12-23 EP disclosed