SCHEMBL3424899

SCHEMBL3424899

OCC[n+]1c2ccccc2c(-c2ccc(N3CCNCC3)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL3423395 0.88 MAPT (0.44) KDM4ENSD2MAPTTHRBMAPK1
SCHEMBL3422943 0.87 MAPT (0.43) KDM4ENSD2MAPTTHRBMAPK1
SCHEMBL3424631 0.86 MAPT (0.56) KDM4ENSD2MAPTTHRBMAPK1
SCHEMBL3427011 0.85 KDM4E (0.42) KDM4ENSD2MAPTTHRBMAPK1
SCHEMBL3426848 0.85 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3425616 0.81 ADRB1 (0.42) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL3395953 0.81 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3394153 0.81 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3427528 0.80 ACHE (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL3396121 0.79 ACHE (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D

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