SCHEMBL6426022

SCHEMBL6426022

CC(C)c1cc(N)ccc1Cc1ccc(N)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ANPEP P15144 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKCI P41743 1/20 0.33
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9721074 0.88 TSHR (0.46) GAAMAPTTSHRMAPK1HTT
SCHEMBL5847934 0.87 GAA (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL18533063 0.85 ANPEP (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL3842911 0.85 GAA (0.38) GAAMAPTTSHRMAPK1HTT
SCHEMBL4409508 0.83 HTR1D (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL21706818 0.82 GAA (0.36) GAAMAPTTSHRMAPK1HTT
SCHEMBL842248 0.82 GAA (0.44) GAAMAPTTSHRMAPK1HTT
SCHEMBL8159096 0.80 ALDH1A1 (0.47) GAAMAPTTSHRMAPK1HTT
SCHEMBL27482062 0.79 TYR (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL2379856 0.77 ANPEP (0.41) GAAMAPTTSHRANPEPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0058300-B1 SYSTEM TO UNITE ADHESIVELY RUBBER-COATED FABRIC METZELER KAUTSCHUK GMBH (DE) 1985-01-09 EP claimed
EP-0058300-A1 System to unite adhesively rubber-coated fabric METZELER KAUTSCHUK GMBH (DE) 1982-08-25 EP claimed
WO-2020022301-A1 EPOXY RESIN, EPOXY RESIN COMPOSITION, EPOXY RESIN COMPOSITION FOR CARBON FIBER-REINFORCED COMPOSITE MATERIAL, PREPREG, AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL 日本化薬株式会社 2020-01-30 WO disclosed
US-6955712-B2 Proton-conducting polymer with acid groups in side chains, preparation method thereof, polymer membrane manufactured using the polymer, and fuel cell using the polymer membrane SAMSUNG SDI CO., LTD. (KR) 2005-10-18 US disclosed
US-20040097695-A1 Proton-conducting polymer with acid groups in side chains, preparation method thereof, polymer membrane manufactured using the polymer, and fuel cell using the polymer membrane SAMSUNG SDI CO., LTD. (KR) 2004-05-20 US disclosed
US-6425944-B2 DURABILITY; ELECTRIC VEHICLES; SPACECRAFT; ION EXCHANGERS; THIN FILMS COMMISSRIAT A L'ENERGIE ATOMIQUE (FR) 2002-07-30 US disclosed