SCHEMBL7784003

SCHEMBL7784003

O=C(O)c1cccc(Nc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.77
CASP6 P55212 2/20 0.77
DUSP3 P51452 1/20 0.77
PTPN5 P54829 1/20 0.77
CASP7 P55210 1/20 0.77
PTPN11 Q06124 1/20 0.77
NT5E P21589 2/20 0.58
SNCA P37840 2/20 0.56
CDC25B P30305 3/20 0.51
PRMT1 Q99873 2/20 0.49
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 1/20 0.46
RHOA P61586 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL8338202 0.91 CASP6 (0.63) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL6568796 0.89 CASP6 (0.78) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL8015044 0.87 CASP6 (0.84) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL590150 0.87 CASP6 (1.00) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL29401736 0.87 CASP6 (1.00) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL10416686 0.82 CASP6 (0.76) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL9682571 0.82 CASP6 (0.84) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL11317876 0.81 NSD2 (0.70) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL11315232 0.81 CASP6 (0.70) NSD2CASP6DUSP3PTPN5CASP7
SCHEMBL8568893 0.81 TNNI3 (0.51) NSD2CASP6DUSP3PTPN5CASP7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810265-B1 Substantive stilbene azo dyestuffs BAYER AG (DE) 2001-11-21 EP disclosed
US-5785718-A DYEING OR PRINTING MATERIALS CONTAINING CELLULOSE AND/OR AMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-28 US disclosed
EP-0810265-A1 Substantive stilbene azo dyestuffs BAYER AG (DE) 1997-12-03 EP disclosed
US-5580965-A Disazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
EP-0735106-A2 Disazo dyes BAYER AG (DE) 1996-10-02 EP disclosed