SCHEMBL3396330

SCHEMBL3396330

C=CC[n+]1c2ccccc2c(-c2ccc(N(CCO)CCO)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3394509 0.92 HPGD (0.34) ACHEHPGDKMT2AKDM4EALDH1A1
SCHEMBL3423373 0.90 CFTR (0.34) ACHE
SCHEMBL3394725 0.88 ACHE (0.47) ACHEHPGDKMT2AKDM4EALDH1A1
SCHEMBL3396328 0.84 ACHE (0.38) ACHEKMT2ALMNASMN1; SMN2
SCHEMBL3396239 0.81 MEN1 (0.33) HPGDKMT2AKDM4EALDH1A1LMNA
SCHEMBL3427254 0.81 ALDH1A1 (0.33) ACHEKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3426006 0.81 ACHE (0.46) ACHEKMT2ASMN1; SMN2
SCHEMBL3399519 0.81 MEN1 (0.35) HPGDKMT2AKDM4EALDH1A1LMNA
Bromide SCHEMBL3399159 0.80 ACHE (0.45) ACHEKMT2ALMNASMN1; SMN2
SCHEMBL3396031 0.80 MCL1 (0.38) HPGDKMT2AKDM4EALDH1A1LMNA

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