SCHEMBL3422943

SCHEMBL3422943

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
CASP3 P42574 3/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NSD2 O96028 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
DHODH Q02127 1/20 0.39
CHKA P35790 4/20 0.38
SNCA P37840 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 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
SCHEMBL3423395 0.99 MAPT (0.44) MAPTL3MBTL1CASP3KDM4ETHRB
SCHEMBL3424631 0.88 MAPT (0.56) MAPTL3MBTL1CASP3KDM4ETHRB
SCHEMBL3424899 0.87 ADRB1 (0.43) MAPTL3MBTL1CASP3KDM4ETHRB
SCHEMBL3427011 0.87 KDM4E (0.42) MAPTL3MBTL1CASP3KDM4ETHRB
SCHEMBL3424641 0.84 ACHE (0.40) MAPTL3MBTL1KDM4ETHRBRECQL
Bromide SCHEMBL3399517 0.83 CHKA (0.41) MAPTNPSR1DHODHCHKASNCA
SCHEMBL3427370 0.82 ACHE (0.40) MAPTL3MBTL1DHODHCHKASNCA
SCHEMBL3424395 0.81 CHKA (0.38) MAPTL3MBTL1KDM4ETHRBRECQL
Bromide SCHEMBL3398336 0.80 CHKA (0.39) KDM4EMAPK1DHODHCHKASNCA
SCHEMBL3423542 0.79 ACHE (0.57) DHODHCHKASNCA

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