SCHEMBL7960404

SCHEMBL7960404

O=[N+]([O-])c1cccc(S(=O)(=O)[C@H](O)C2CO2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
CA2 P00918 3/20 0.50
MMP2 P08253 2/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA5A P35218 1/20 0.50
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL11889212 1.00 PRMT5 (0.54) PRMT5WDR77KMT2AGAAHTT
SCHEMBL6808021 0.84 CA2 (0.44) PRMT5WDR77KMT2ACA2MMP2
SCHEMBL6807193 0.84 CA2 (0.44) PRMT5WDR77KMT2ACA2MMP2
SCHEMBL6807174 0.84 CA2 (0.44) PRMT5WDR77KMT2ACA2MMP2
SCHEMBL9805877 0.77 KMT2A (0.62) KMT2AGAAHTTCA2MMP2
SCHEMBL11765302 0.76 KMT2A (0.66) PRMT5WDR77KMT2AGAAHTT
SCHEMBL4712336 0.75 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL9398531 0.73 KMT2A (0.66) KMT2AGAAHTTCA2MMP2
SCHEMBL6544644 0.73 KMT2A (0.66) KMT2AGAAHTTCA2MMP2
SCHEMBL4804280 0.72 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT

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
US-6180633-B1 TREATMENT OF DRUG RESISTANT MALARIA COMPRISING COADMINISTERING TO A MAMMAL A RESISTANCE MODULATING (CYCLOPROPYLDIBENZOSUBER-5-YL)PIPERAIN-1-YL NAPHTHALENE DERIVATIVE AND AN ANTI-MALARIAL DRUG ELI LILLY AND COMPANY 2001-01-30 US disclosed
US-6130219-A Drug resistance and multidrug resistance modulators ELI LILLY AND COMPANY (US) 2000-10-10 US disclosed
US-6025359-A Drug resistance and multidrug resistance modulators ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0814081-A1 Drug resistance and multidrug resistance modulators ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
WO-1997048689-A1 DRUG RESISTANCE AND MULTIDRUG RESISTANCE MODULATORS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed