SCHEMBL13748895

SCHEMBL13748895

CC(=O)OCCN(CCOC(C)=O)c1ccc(-c2c3ccccc3[n+](C)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.60
RAD52 P43351 1/20 0.41
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3399124 0.88 ACHE (0.47) ACHERAD52
SCHEMBL3399126 0.83 ACHE (0.43) ACHERAD52
Acetic Acid SCHEMBL3393948 0.81 ACHE (0.61) ACHE
SCHEMBL3422782 0.80 ACHE (0.71) ACHE
Bromide SCHEMBL3397501 0.79 ACHE (0.69) ACHE
Hydrochloric Acid SCHEMBL3396105 0.79 ACHE (0.69) ACHE
SCHEMBL3424278 0.76 ACHE (1.00) ACHETDP1RECQL
SCHEMBL3395917 0.75 RAD52 (0.49) RAD52TDP1
SCHEMBL26944270 0.71 ACHE (0.62) ACHE
SCHEMBL5691122 0.71 MEN1 (0.48) RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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