SCHEMBL3424154

SCHEMBL3424154

C=CC[n+]1c2ccccc2c(-c2ccc(N3CCNCC3)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.34
PDK2 Q15119 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
HTR7 P34969 1/20 0.32
ADRB1 P08588 1/20 0.32
KHK P50053 2/20 0.32
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
ACVR1 Q04771 2/20 0.31
RIPK2 O43353 1/20 0.31
NOD2 Q9HC29 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3396239 0.93 MEN1 (0.33) KDM4EALDH1A1LMNA
SCHEMBL3399519 0.92 MEN1 (0.35) PDK2KDM4EALDH1A1LMNA
SCHEMBL3400104 0.91 TP53 (0.35) KDRBRD4BRD2BRD3
SCHEMBL3396031 0.91 MCL1 (0.38) KDM4EALDH1A1LMNA
SCHEMBL3393911 0.87 HTR6 (0.38) HTR6PDK2FGFR1FGFR2PIM1
SCHEMBL3424151 0.84 HTR6 (0.40) HTR6HTR7ADRB1KHKKDM4E
SCHEMBL3423373 0.82 CFTR (0.34)
SCHEMBL3425991 0.81 MEN1 (0.36) PDK2KDM4EALDH1A1LMNA
SCHEMBL3425616 0.81 ADRB1 (0.42) HTR6PIM1PIM3PIM2HTR7
Hydrochloric Acid SCHEMBL3394153 0.80 ADRB1 (0.41) HTR6PIM1PIM3PIM2HTR7

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