SCHEMBL3406414

SCHEMBL3406414

O=S(=O)(c1cccc2ccccc12)c1c(O)c(O)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ HTR6 P50406 2/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ MPL P40238 2/20 0.45
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ F2 P00734 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL7207360 0.82 HCRTR1 (0.56) CA1CA2CA9HTR6HCRTR1
SCHEMBL5153341 0.81 HTR6 (0.57) CA1CA2CA9HTR6HCRTR1
SCHEMBL10952484 0.79 HTR6 (0.50) CA1CA2CA9HTR6HCRTR1
SCHEMBL30996433 0.78 CYP2D6 (0.66) MPLTDP1L3MBTL1CYP2D6ALDH1A1
SCHEMBL11302691 0.78 CYP2D6 (0.49) CA1CA2CA9MPLMCL1
SCHEMBL3262066 0.78 CYP2D6 (0.66) MPLTDP1L3MBTL1CYP2D6ALDH1A1
SCHEMBL11131209 0.77 CYP2D6 (0.64) MPLTDP1L3MBTL1CYP2D6ALDH1A1
SCHEMBL7190517 0.76 CA1 (0.60) CA1CA2CA9HTR6HCRTR1
SCHEMBL6692792 0.76 CYP2D6 (0.46) MPLTDP1L3MBTL1CYP2D6ALDH1A1
SCHEMBL547461 0.75 CA1 (0.68) CA1CA2CA9HTR6HCRTR1

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-2185652-B1 METHOD FOR FORMING ORGANIC PIGMENTS BASF SE (DE) 2010-12-01 — — EP disclosed
EP-2185652-A2 METHOD FOR FORMING ORGANIC PIGMENTS Basf Se (DE) 2010-05-19 — — EP disclosed
EP-2137265-A2 METHOD FOR THE FORMATION OF ORGANIC PIGMENTS BASF SE (DE) 2009-12-30 — — EP disclosed
WO-2009019180-A2 METHOD FOR FORMING ORGANIC PIGMENTS BASF SE (DE) 2009-02-12 — — WO disclosed
WO-2008125628-A2 METHOD FOR THE FORMATION OF ORGANIC PIGMENTS BASF SE (DE) 2008-10-23 — — WO disclosed
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