SCHEMBL10488378

SCHEMBL10488378

COc1ccc(N=[N])c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MPL P40238 1/20 0.40
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PKM P14618 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL10488382 0.83 L3MBTL1 (0.41) L3MBTL1MPLMAPTPRKAB2PRKAG1
SCHEMBL12052698 0.82 MPL (0.42) L3MBTL1MPLMAPTALDH1A1PRKAB2
SCHEMBL10488387 0.77 MPL (0.40) L3MBTL1MPLMAPTALDH1A1GAA
SCHEMBL8300776 0.75 POLB (0.49) L3MBTL1MPLMAPTALDH1A1NPSR1
SCHEMBL668653 0.75 L3MBTL1 (0.64) L3MBTL1MAPTALDH1A1NPSR1GAA
SCHEMBL2336447 0.75 ERN1 (0.50) L3MBTL1MPLMAPTALDH1A1PKM
SCHEMBL30965843 0.75 L3MBTL1 (0.64) L3MBTL1MAPTALDH1A1NPSR1GAA
SCHEMBL14546746 0.75 TDP1 (0.46) L3MBTL1MPLMAPTALDH1A1GAA
Nitrogen SCHEMBL28911658 0.75 CTDSP1 (0.50) L3MBTL1MAPTNOTUMALDH1A1GAA
SCHEMBL1804052 0.75 MPL (0.41) L3MBTL1MPLMAPTALDH1A1PRKAB2

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
EP-0179549-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-23 EP disclosed
US-4799960-A JET PRINTING; METALLIZED AZO DYES; WORKABILITY IN LIQUID MEDIUM CANON KABUSHIKI KAISHA (JP) 1989-01-24 US disclosed
US-4705528-A Water-soluble triazine black dyes from cellulose reactive groups and suitable for use in inks IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-11-10 US disclosed
EP-0179549-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-30 EP disclosed