SCHEMBL8727463

SCHEMBL8727463

O=[N+]([O-])N1CCNc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
BRPF1 P55201 1/20 0.38
THRB P10828 1/20 0.36
HTR7 P34969 1/20 0.36
PIM1 P11309 1/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HPGD P15428 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B3 P37058 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL31512482 1.00 AVPR1A (0.39) AVPR1ABRPF1THRBHTR7PIM1
SCHEMBL16210563 0.84 MEN1 (0.40) THRBHTR7KMT2AMEN1GAA
SCHEMBL2690960 0.82 BRPF1 (0.40) BRPF1HTR7BRD4KMT2AMEN1
SCHEMBL28833094 0.70 BRD4 (0.41) AVPR1ABRPF1PIM1BRD4KMT2A
SCHEMBL29413886 0.69 SIGMAR1 (0.47) KMT2AMEN1HPGDMAPTHTT
SCHEMBL445091 0.69 SIGMAR1 (0.47) KMT2AMEN1HPGDMAPTHTT
SCHEMBL7362157 0.69
SCHEMBL305967 0.68 BRPF1 (0.47) AVPR1ABRPF1PIM1BRD4KMT2A
SCHEMBL3311949 0.68 AVPR1A (0.40) AVPR1ABRPF1PIM1BRD4KMT2A
SCHEMBL728158 0.68 AVPR1A (0.43) AVPR1ABRPF1PIM1BRD4KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773429-A2 COLOR INTENSIFICATION BY POLYQUATERNIUM Henkel AG&Co. KGAA (DE) 2014-09-10 EP claimed
WO-2013064341-A2 COLOR INTENSIFICATION BY POLYQUATERNIUM HENKEL AG & CO. KGAA (DE) 2013-05-10 WO claimed
EP-3634365-A1 HAIR COLORING COMPOSITION WITH IMPROVED SALT TOLERANCE Henkel AG & Co. KGaA (DE) 2020-04-15 EP disclosed
EP-0629221-B1 COLOURING AGENTS FOR NATURAL AND SYNTHETIC FIBRES HENKEL KGAA (DE) 1998-04-15 EP disclosed
EP-0629221-A1 COLOURING AGENTS FOR NATURAL AND SYNTHETIC FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 1994-12-21 EP disclosed
WO-1993018093-A1 COLOURING AGENTS FOR NATURAL AND SYNTHETIC FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-09-16 WO disclosed
EP-0353531-B1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1993-04-21 EP disclosed
US-5089025-A HAIR DYE COMPOSITIONS AND CERTAIN 1,2,3,4-TETRAHYDRONITROQUINOXALINES USEFUL THEREIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-18 US disclosed
EP-0426719-A1 A HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-15 EP disclosed
WO-1990001050-A1 A HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-08 WO disclosed