SCHEMBL3396616

SCHEMBL3396616

C[n+]1c2ccccc2c(-c2ccc(N3CCCC3)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
KIF11 P52732 2/20 0.36
MCL1 Q07820 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 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
SCHEMBL3394577 0.99 ACHE (0.39) ACHESMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3395720 0.93 ACHE (0.40) ACHEMEN1KMT2ATP53MAPT
SCHEMBL3397200 0.93 MCL1 (0.42) ACHESMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3393911 0.92 HTR6 (0.38) ACHELMNA
SCHEMBL3425991 0.89 MEN1 (0.36) SMN1; SMN2MEN1KMT2ANPSR1TP53
SCHEMBL3396239 0.87 MEN1 (0.33) SMN1; SMN2MEN1KMT2ANPSR1TP53
SCHEMBL3399519 0.86 MEN1 (0.35) SMN1; SMN2MEN1KMT2ANPSR1TP53
SCHEMBL3399613 0.82 ACHE (0.44) ACHELMNA
SCHEMBL3396612 0.81 ACHE (0.51) ACHEMEN1KMT2ANPSR1TP53
SCHEMBL3396031 0.80 MCL1 (0.38) SMN1; SMN2MEN1KMT2ATP53MAPT

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