SCHEMBL6699428

SCHEMBL6699428

O=S(=O)(O)c1ccc2c(/N=N/c3cccc4ccccc34)c(O)c(S(=O)(=O)O)cc2c1.[NaH].[NaH]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.98
HIF1A Q16665 4/20 0.98
ALDH1A1 P00352 3/20 0.98
KMT2A Q03164 2/20 0.78
TDP1 Q9NUW8 2/20 0.78
MEN1 O00255 1/20 0.78
THRB P10828 1/20 0.78
CYP2C9 P11712 2/20 0.73
TSHR P16473 1/20 0.73
PTPRA P18433 1/20 0.73
PTPRB P23467 1/20 0.73
CYP2C19 P33261 1/20 0.73
RAPGEF4 Q8WZA2 1/20 0.73
HSD17B10 Q99714 1/20 0.73
MAPK1 P28482 3/20 0.68
DNASE1L3 Q13609 1/20 0.68
PTPN11 Q06124 1/20 0.58
PRMT1 Q99873 1/20 0.53
HPGD P15428 1/20 0.51
ENPP2 Q13822 4/20 0.51

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
SCHEMBL13659231 0.99 CYP1A2 (1.00) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL6699436 0.99 CYP1A2 (1.00) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL4075867 0.99 CYP1A2 (1.00) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL16689771 0.91 CYP1A2 (0.84) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL13659304 0.90 CYP1A2 (0.84) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL13659579 0.90 CYP1A2 (0.84) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL27984846 0.90 CYP1A2 (0.83) CYP1A2HIF1AALDH1A1KMT2ATDP1
Amaranth SCHEMBL473254 0.89 THRB (0.98) CYP1A2HIF1AALDH1A1KMT2ATDP1
Amaranth SCHEMBL9577797 0.89 THRB (0.98) CYP1A2HIF1AALDH1A1KMT2ATDP1
Amaranth SCHEMBL185412 0.89 THRB (0.98) CYP1A2HIF1AALDH1A1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036202-A1 Methods and devices for use in analyte concentration determination assays LIFESCAN, INC. 2003-02-20 US claimed
US-20040219624-A1 Methods and devices for use in analyte concentration determination assays LIFESCAN INC. 2004-11-04 US disclosed
US-20030036202-A1 Methods and devices for use in analyte concentration determination assays LIFESCAN, INC. 2003-02-20 US disclosed
EP-1281960-A2 Methods and devices for use in analyte concentration determination assays Lifescan, Inc. (US) 2003-02-05 EP disclosed