SCHEMBL3425616

SCHEMBL3425616

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.42
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
LTA4H P09960 1/20 0.39
KDM1A O60341 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR6 P50406 1/20 0.37
HTR5A P47898 1/20 0.37
KHK P50053 3/20 0.36
BMP4 P12644 2/20 0.36
TGFBR1 P36897 3/20 0.36
ACVR1 Q04771 3/20 0.36
KDR P35968 2/20 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 SCHEMBL3395953 0.99 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3394153 0.99 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3421102 0.89 CHKA (0.36) ALDH1A1TSHRHSD17B10HTR7
Hydrochloric Acid SCHEMBL3399953 0.88 CHKA (0.36) ALDH1A1TSHRHSD17B10HTR7
Bromide SCHEMBL3393302 0.88 CHKA (0.39) ALDH1A1TSHRHSD17B10
SCHEMBL3424395 0.88 CHKA (0.38) USP2ALDH1A1TSHRHSD17B10
Bromide SCHEMBL3398336 0.86 CHKA (0.39) ALDH1A1
SCHEMBL3424151 0.86 HTR6 (0.40) ADRB1ALDH1A1HTR6HTR5AKHK
Hydrochloric Acid SCHEMBL3396117 0.85 MAPT (0.39) KDM1AALDH1A1TSHRTGFBR1KDR
SCHEMBL3427064 0.85 ADRA2C (0.42) HTR3ASIGMAR1KDM1AALDH1A1HTR6

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