SCHEMBL14645429

SCHEMBL14645429

O=C(O)CCNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1.O=S(=O)(O)CCNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.56
CASP6 P55212 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
NSD2 O96028 3/20 0.47
DUSP3 P51452 2/20 0.47
PTPN5 P54829 2/20 0.47
PTPN11 Q06124 2/20 0.47
NT5E P21589 2/20 0.44
CASP7 P55210 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14645371 0.94 PRMT1 (0.63) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL14645645 0.92 PRMT1 (0.62) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL8976324 0.85 CASP6 (0.61) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL9342332 0.83 CASP6 (0.60) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL11219394 0.81 PRMT1 (0.66) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL10648651 0.80 PRMT1 (0.63) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL8947660 0.79 PRMT1 (0.62) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL1373255 0.79 PRMT1 (0.65) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL9338716 0.77 PRMT1 (0.59) PRMT1CASP6CTDSP1NSD2DUSP3
SCHEMBL11212315 0.77 PRMT1 (0.59) PRMT1CASP6CTDSP1NSD2DUSP3

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-2013008201-A2 NOVEL REACTIVE DYES, THERE MIXTURES AND PROCESSES THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-01-17 WO claimed