SCHEMBL5360577

SCHEMBL5360577

O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.38
▸ TDP2 O95551 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS2 P35354 7/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ MMP9 P14780 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KAT8 Q9H7Z6 1/20 0.32
▸ DUSP22 Q9NRW4 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL5355960 0.81 SMN1; SMN2 (0.48) TSHRSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL5972244 0.71 PDE5A (0.38) PDE5ATDP2TSHRSMN1; SMN2PTGS2
SCHEMBL7159173 0.70 TDP2 (0.37) PDE5ATDP2TSHRSMN1; SMN2LMNA
SCHEMBL15085178 0.66 TDP2 (0.55) TDP2SMN1; SMN2PTGS2ALDH1A1HPGD
SCHEMBL14378351 0.65 TDP2 (0.38) PDE5ATDP2TSHRSMN1; SMN2LMNA
SCHEMBL4084320 0.65 TDP2 (0.38) PDE5ATDP2TSHRSMN1; SMN2LMNA
SCHEMBL1715679 0.64 POLB (0.68) TDP2TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL3131292 0.63 POLB (0.66) TDP2TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL8003873 0.63 POLB (0.66) TDP2TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL150334 0.61 LMNA (0.77) TSHRSMN1; SMN2LMNAALDH1A1HPGD

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
US-7306632-B2 Leave-in color conditioner HAIRMARKER LLC (US) 2007-12-11 — — US disclosed
US-20050198746-A1 Leave-in color conditioner HAIRMARKER LLC 2005-09-15 — — US disclosed
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