SCHEMBL6683534

SCHEMBL6683534

CCN1CCCc2ccc(N)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
ATAD2 Q6PL18 2/20 0.48
BRD4 O60885 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
REN P00797 6/20 0.39
CYP3A4 P08684 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL2267570 0.90 HTR2A (0.45) HRH3ATAD2BRD4KMT2AMEN1
Hydrochloric Acid SCHEMBL6844552 0.88 HTR2A (0.44) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL16274465 0.87 KMT2A (0.60) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL10493943 0.87 ATAD2 (0.53) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL13397208 0.83 BRD4 (0.48) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL17833063 0.81 ALDH1A1 (0.55) HRH3KMT2AMEN1ALDH1A1MAPK1
SCHEMBL15037990 0.81 NOS3 (0.47) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL15037577 0.81 KMT2A (0.43) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL20544210 0.81 BRD4 (0.49) HRH3ATAD2BRD4KMT2AMEN1
SCHEMBL2674785 0.80 ALDH1A1 (0.52) HRH3ATAD2BRD4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP disclosed
US-9187717-B2 Carboxylate dyes MILLIKEN & COMPANY (US) 2015-11-17 US disclosed
US-20150099869-A1 Carboxylate Dyes MILLIKEN & COMPANY 2015-04-09 US disclosed
EP-2828340-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES The Procter & Gamble Company (US) 2015-01-28 EP disclosed
EP-2828339-A1 CARBOXYLATE DYES Milliken & Company (US) 2015-01-28 EP disclosed
WO-2013142495-A1 CARBOXYLATE DYES MILLIKEN & COMPANY (US) 2013-09-26 WO disclosed
WO-2013142486-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES THE PROCTER & GAMBLE COMPANY (US) 2013-09-26 WO disclosed
US-6737280-B1 USED AS LABELING GROUPS IN PROCEDURES FOR THE DETECTION OF ANALYTES; ASYMMETRIC MONOBENZOXANTHENE COMPOUNDS KARL-HEINZ DREXHAGE (DE) 2004-05-18 US disclosed
EP-1353640-A1 NOVEL COUPLING COMPONENTS FOR OXIDATIVE DYES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-10-22 EP disclosed
EP-1173520-B1 NOVEL AMIDOPYRYLIUM FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed
WO-2002058652-A1 NOVEL COUPLING COMPONENTS FOR OXIDATIVE DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-08-01 WO disclosed
EP-1173520-A1 NOVEL AMIDOPYRYLIUM FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
WO-2000064987-A1 NOVEL AMIDOPYRYLIUM FLUORESCENCE DYES DREXHAGE KARL HEINZ (DE) 2000-11-02 WO disclosed