SCHEMBL3820809

SCHEMBL3820809

O=S(=O)(O)c1ccc2c(S(=O)(=O)O)ccc(S(=O)(=O)O)c2c1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
CASP6 P55212 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 3/20 0.40

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
SCHEMBL3296584 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30939652 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3824939 0.96 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3826526 0.96 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL8113889 0.86 TNNI3 (0.53) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL7524251 0.86 TNNI3 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL9314959 0.86 TTR (0.54) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1807549 0.85 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1807547 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1809359 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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-2105477-A1 Method of forming inkjet image FUJIFILM Corporation (JP) 2009-09-30 EP disclosed
US-20090238973-A1 Method of forming inkjet image FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed