SCHEMBL3825262

SCHEMBL3825262

O=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)cc2c1.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 4/20 0.57
CASP6 P55212 3/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SNCA P37840 2/20 0.53
NT5E P21589 4/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
NSD2 O96028 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL822307 0.97 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29381755 0.97 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29574227 0.97 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11774462 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL10613938 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL5349969 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11162227 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3819763 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30940026 0.95 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3822707 0.95 ALDH1A1 (0.57) 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