SCHEMBL3727593

SCHEMBL3727593

[Li]c1ccccc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
MAPK1 P28482 3/20 0.54
GAA P10253 3/20 0.50
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
EGFR P00533 1/20 0.46
RAF1 P04049 1/20 0.46
ALOX12 P18054 1/20 0.46
MAP2K1 Q02750 1/20 0.46
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 2/20 0.41

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
SCHEMBL3729970 0.98 KEAP1 (0.59) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL3725948 0.98 KEAP1 (0.59) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL26219177 0.84 MAPK1 (0.70) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL27934132 0.81 MAPK1 (0.74) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL16752537 0.79 ADRB1 (0.64) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL28282917 0.79 GAA (0.50) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL4423797 0.76 MAPK1 (0.60) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL1825806 0.75 ADRB1 (0.65) KEAP1MAPK1GAAL3MBTL1ALDH1A1
SCHEMBL945417 0.75 GAA (0.50) KEAP1MAPK1GAANPC1L3MBTL1
SCHEMBL484010 0.73 KEAP1 (0.95) KEAP1MAPK1GAANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 US claimed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 EP claimed
US-7825203-B2 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2010-11-02 US disclosed
US-20080161519-A1 Catalyst System for Synthesizing Amine Functionalized Rubbery Polymers THE GOODYEAR TIRE & RUBBER COMPANY 2008-07-03 US disclosed
EP-1939224-A1 Catalyst system for synthesizing amine functionalized rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2008-07-02 EP disclosed