SCHEMBL6933730

SCHEMBL6933730

CC(C)c1ccccc1-c1c(N)ccc(N)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ADORA2A P29274 4/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1G1 Q9HCP0 2/20 0.42
FGR P09769 1/20 0.42
PIM1 P11309 1/20 0.42
MAOA P21397 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
ATR Q13535 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL6925004 0.91 ADORA2A (0.50) CA12CA1CA2CA9ADORA2A
SCHEMBL8675148 0.80 CA12 (0.45) CA12CA1CA2CA9ADORA2A
SCHEMBL29613123 0.76 CA1 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL146177 0.76 CA1 (0.58) CA12CA1CA2CA9ALDH1A1
Benzene SCHEMBL28765069 0.76 CA1 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL29546125 0.76 HSD17B10 (0.50) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL7627406 0.76 ADORA2A (0.38) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL25014 0.76 HSD17B10 (0.50) ADORA2ACSNK1A1CSNK1DCSNK1G1FGR
SCHEMBL2833308 0.76 ALDH1A1 (0.45) CA12CA1CA2CA9ADORA2A
Hydrochloric Acid SCHEMBL28861669 0.74 CA1 (0.56) CA12CA1CA2CA9ALDH1A1

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-1186595-B1 Diaryl-p-phenylenediamine disulfides GOODYEAR TIRE & RUBBER (US) 2003-11-26 EP disclosed
US-6627686-B1 Mixture with rubber; oxidation resistance; tires, rolls, conveyor belts, footwear THE GOODYEAR TIRE & RUBBER COMPANY 2003-09-30 US disclosed
EP-1186595-A1 Diaryl-p-phenylenediamine disulfides THE GOODYEAR TIRE & RUBBER COMPANY (US) 2002-03-13 EP disclosed
EP-0700963-B1 Polymeric N-aryl substituted and N-alkaryl substituted diphenyldiamines GOODYEAR TIRE & RUBBER (US) 1999-04-14 EP disclosed
US-5726248-A ANTIOXIDANTS FOR DIENE POLYMERS WITH HIGH MOLECULAR WEIGHTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1998-03-10 US disclosed
EP-0700963-A1 Polymeric N-aryl substituted and N-alkaryl substituted diphenyldiamines THE GOODYEAR TIRE & RUBBER COMPANY (US) 1996-03-13 EP disclosed