SCHEMBL3396653

SCHEMBL3396653

C[n+]1c2ccccc2cc2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ATM Q13315 3/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ POLB P06746 4/20 0.35
▸ ACHE P22303 3/20 0.35
▸ CASP6 P55212 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ DUSP5 Q16690 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PKLR P30613 1/20 0.33
▸ CYTH2 Q99418 1/20 0.33
▸ GLO1 Q04760 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL1834879 0.81 MAPT (0.40) PTGS1GAAALDH1A1PKMKMT2A
SCHEMBL15234431 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
SCHEMBL124913 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
SCHEMBL9352293 0.79 PTGS1 (0.66) PTGS1GAAALDH1A1PKMKMT2A
Silver SCHEMBL5705127 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
SCHEMBL7760538 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
Zinc Ion SCHEMBL587456 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
Potassium Ion SCHEMBL10353844 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
Lithium Ion SCHEMBL4365114 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A
SCHEMBL9356000 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMKMT2A

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-2245013-A1 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2010-11-03 — — EP disclosed
WO-2009103798-A1 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2009-08-27 — — WO disclosed
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