SCHEMBL3795605

SCHEMBL3795605

C=Cc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1.[NaH].[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ING2 Q9H160 1/20 0.39
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 3/20 0.33
NT5E P21589 3/20 0.33
CASP6 P55212 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCL1 Q07820 1/20 0.32
NSD2 O96028 2/20 0.32
GAA P10253 1/20 0.32
PLCG1 P19174 1/20 0.32
DNMT1 P26358 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DUSP3 P51452 1/20 0.31

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
SCHEMBL3715904 0.98 TDP1 (0.61) TDP1LCKFYNING2TSHR
SCHEMBL18289491 0.93 TDP1 (0.61) TDP1LCKFYNING2TSHR
SCHEMBL11828630 0.84 TDP1 (0.52) TDP1LCKFYNING2TSHR
SCHEMBL3195354 0.83 TDP1 (0.47) TDP1LCKFYNING2NT5E
SCHEMBL11830502 0.81 LCK (0.66) TDP1LCKFYNING2TSHR
SCHEMBL5013229 0.80 LCK (0.55) TDP1LCKFYNING2TSHR
SCHEMBL124133 0.80 LCK (0.55) TDP1LCKFYNING2TSHR
SCHEMBL313977 0.79 TDP1 (0.57) TDP1TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL19881180 0.79 TDP1 (0.47) TDP1LCKFYNLMNAGAA
SCHEMBL6520071 0.79 LCK (0.41) TDP1LCKFYNING2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010135167-A1 COPOLYELECTROLYTE MONOMERS BEARING MULTIPLE ACID GROUPS ARKEMA INC. (US) 2010-11-25 WO claimed