SCHEMBL8713581

SCHEMBL8713581

Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH].[NaH]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.71
CASP6 P55212 6/20 0.57
NSD2 O96028 4/20 0.57
DUSP3 P51452 2/20 0.57
PTPN5 P54829 2/20 0.57
PTPN11 Q06124 2/20 0.57
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
SUMO2 P61956 2/20 0.45
SUMO1 P63165 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP2 Q9HC62 2/20 0.45
ENPP2 Q13822 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL8008839 1.00 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL151762 0.98 NT5E (0.73) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8713026 0.98 NT5E (0.73) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL29392802 0.98 NT5E (0.73) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8968523 0.98 NT5E (0.73) NT5ECASP6NSD2DUSP3PTPN5
Water SCHEMBL28374688 0.97 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL7457861 0.97 NT5E (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8494164 0.89 NT5E (0.65) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL1367724 0.88 CASP6 (0.69) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL27457776 0.88 CASP6 (0.69) NT5ECASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US claimed
EP-0527189-A1 NOVEL CC-1065 ANALOGS PHARMACIA & UPJOHN COMPANY (US) 1993-02-17 EP claimed
WO-1991016324-A1 NOVEL CC-1065 ANALOGS THE UPJOHN COMPANY (US) 1991-10-31 WO claimed
US-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US disclosed
EP-0527189-A1 NOVEL CC-1065 ANALOGS PHARMACIA & UPJOHN COMPANY (US) 1993-02-17 EP disclosed
WO-1991016324-A1 NOVEL CC-1065 ANALOGS THE UPJOHN COMPANY (US) 1991-10-31 WO disclosed