SCHEMBL3424641

SCHEMBL3424641

CC[n+]1c2ccccc2c(-c2ccc(N3CCCCC3)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
CHKA P35790 5/20 0.40
DHODH Q02127 1/20 0.38
SNCA P37840 1/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36

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
Bromide SCHEMBL3399517 0.99 CHKA (0.41) ACHECHKADHODHSNCANPC1
SCHEMBL3427370 0.99 ACHE (0.40) ACHECHKADHODHSNCANPC1
SCHEMBL3423867 0.88 ADRA2C (0.42) ACHECHKANPC1RAB9ASMN1; SMN2
SCHEMBL3419894 0.88 AHR (0.44) ACHENPC1TP53RAB9ASMN1; SMN2
SCHEMBL3426848 0.86 ADRB1 (0.45) ACHEALDH1A1USP2HSD17B10
SCHEMBL3425990 0.86 CNR2 (0.47) ACHETP53MEN1ALDH1A1MAPT
SCHEMBL3423542 0.84 ACHE (0.57) ACHECHKADHODHSNCA
SCHEMBL3422943 0.84 MAPT (0.43) CHKADHODHSNCANPC1TP53
Bromide SCHEMBL3399233 0.83 ACHE (0.56) ACHECHKADHODHSNCA
SCHEMBL3424395 0.83 CHKA (0.38) ACHECHKADHODHSNCANPC1

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 4 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 claimed
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 claimed
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