SCHEMBL3908409

SCHEMBL3908409

O=Cc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 3/20 0.36
PADI4 Q9UM07 1/20 0.35
HIF1A Q16665 3/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GLO1 Q04760 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CYP1A2 P05177 1/20 0.33
MPL P40238 2/20 0.33
NQO1 P15559 1/20 0.33
PRMT1 Q99873 1/20 0.32
NSD2 O96028 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL7058037 0.79 PADI4 (0.52) TDP1MEN1THRBKMT2AERN1
SCHEMBL27074591 0.74 ERN1 (0.44) ERN1HIF1AHSD17B10LMNAHPGD
SCHEMBL30016503 0.72 HSD17B10 (0.41) TDP1HIF1AHSD17B10LMNAHPGD
SCHEMBL13353953 0.72 HSD17B10 (0.41) TDP1HIF1AHSD17B10LMNAHPGD
SCHEMBL391643 0.72 HSD17B10 (0.41) TDP1HIF1AHSD17B10LMNAHPGD
SCHEMBL7798817 0.71 NT5E (0.60) TDP1MEN1THRBKMT2AHIF1A
SCHEMBL31635711 0.71 NT5E (0.60) TDP1MEN1THRBKMT2AHIF1A
SCHEMBL31615025 0.71 CASP6 (0.47) TDP1MEN1THRBKMT2AHIF1A
SCHEMBL2989602 0.71 CASP6 (0.47) TDP1MEN1THRBKMT2AHIF1A
SCHEMBL8928907 0.71 HSD17B10 (0.40) TDP1HIF1AHSD17B10LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018844-A2 Agent for dying fibres which contain keratin comprising derivatives of naphthaldehyde in combination with CH acidic compounds Henkel AG & Co. KGaA (DE) 2009-01-28 EP claimed
EP-2018844-A2 Agent for dying fibres which contain keratin comprising derivatives of naphthaldehyde in combination with CH acidic compounds Henkel AG & Co. KGaA (DE) 2009-01-28 EP disclosed