SCHEMBL7901329

SCHEMBL7901329

O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.60
▸ CASP6 P55212 2/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ ING2 Q9H160 1/20 0.48
▸ PRMT1 Q99873 3/20 0.47
▸ TIMP3 P35625 3/20 0.46
▸ NSD2 O96028 2/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44

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
SCHEMBL9799497 0.86 CASP6 (0.60) APEX1CASP6CTDSP1ING2PRMT1
SCHEMBL1803722 0.82 CASP6 (0.52) CASP6CTDSP1PRMT1NSD2DUSP3
SCHEMBL3830931 0.80 CASP6 (0.77) APEX1CASP6CTDSP1ING2PRMT1
SCHEMBL10585260 0.79 CASP6 (0.46) APEX1CASP6CTDSP1PRMT1TIMP3
SCHEMBL4649703 0.79 APEX1 (0.66) APEX1CASP6CTDSP1ING2PRMT1
SCHEMBL30818027 0.79 APEX1 (0.66) APEX1CASP6CTDSP1ING2PRMT1
SCHEMBL10509094 0.79 PRMT1 (0.48) CASP6CTDSP1PRMT1NSD2DUSP3
SCHEMBL11036814 0.77 PRMT1 (0.48) APEX1CASP6CTDSP1PRMT1TIMP3
SCHEMBL9696584 0.77 PRMT1 (0.48) APEX1CASP6CTDSP1PRMT1TIMP3
SCHEMBL11022268 0.77 APEX1 (0.71) APEX1CTDSP1ING2PRMT1DUSP3

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-6194554-B1 DYEING AND PRINTING MATERIALS CONTAINING CARBOXAMIDE GROUPS AND/OR CELLULOSIC MATERIALS BY APPLYING DISAZO DYE BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 — — US disclosed
EP-0919596-A1 Disazo dyes Bayer Aktiengesellschaft (DE) 1999-06-02 — — EP disclosed
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