SCHEMBL9838417

SCHEMBL9838417

O=S(=O)(O)c1c(Cc2cc3ccccc3c(S(=O)(=O)O)c2S(=O)(=O)O)cc2ccccc2c1S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
ACP1 P24666 1/20 0.38
MPL P40238 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CTRC Q99895 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ATIC P31939 1/20 0.36
HIF1A Q16665 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9465234 0.98 CYP2D6 (0.51) CYP2D6ACP1MPLALDH1A1CYP1A2
SCHEMBL196417 0.88 CYP2D6 (0.43) CYP2D6ACP1MPLALDH1A1CYP1A2
SCHEMBL150862 0.86 CYP2D6 (0.50) CYP2D6ACP1MPLALDH1A1CYP1A2
SCHEMBL2529080 0.82 GPR84 (0.49) CYP2D6ACP1ALDH1A1MEN1KMT2A
SCHEMBL8157494 0.81 CYP2D6 (0.59) CYP2D6MPLALDH1A1CYP1A2CYP2C19
SCHEMBL5182533 0.81 CYP2D6 (0.49) CYP2D6ACP1MPLALDH1A1CYP1A2
SCHEMBL14813073 0.80 CYP2D6 (0.54) CYP2D6MPLALDH1A1CYP1A2CYP2C19
SCHEMBL1247911 0.80 CYP2D6 (0.54) CYP2D6MPLALDH1A1CYP1A2CYP2C19
SCHEMBL149653 0.80 CYP2D6 (0.44) CYP2D6GPR84
SCHEMBL11293440 0.80 CYP2D6 (0.44) CYP2D6ALDH1A1ME2ME1ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983478-A Burn-in gumming composition for offset printing plates HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed
US-4885230-A Burn-in gumming composition for offset printing plates HOECHST AKTIENGESELLSCHAFT (DE) 1989-12-05 US disclosed
US-4617250-A DIAZO RESIN, HIGH MOLECULAR WEIGHT ACID-CONTAINING COMPOUND, AROMATIC SULFONATE, AND ORGANIC DYE FUJI PHOTO FILM CO., LTD. (JP) 1986-10-14 US disclosed
US-4576893-A DIAZO RESIN, PYRIDINEDICARBOXYLIC ACID FUJI PHOTO FILM CO., LTD. (JP) 1986-03-18 US disclosed
EP-0127893-A2 Light-sensitive composition for use with lithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1984-12-12 EP disclosed