SCHEMBL3781641

SCHEMBL3781641

C=Cc1ccc(CN2C=CN(C=C)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ F2R P25116 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PSMD14 O00487 1/20 0.32
▸ XDH P47989 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
SCHEMBL19362304 0.88 ALDH1A1 (0.44) MAPTTP53LMNAALDH1A1CA1
Bromide SCHEMBL28938863 0.81 SIGMAR1 (0.38) ALDH1A1
Hydrochloric Acid SCHEMBL4647603 0.81 SIGMAR1 (0.38) ALDH1A1
SCHEMBL1628529 0.80 CA1 (0.38) MAPTTP53LMNAALDH1A1CA1
SCHEMBL534294 0.80 MAPT (0.37) MAPTTP53LMNAALDH1A1CA1
SCHEMBL23619153 0.80 POLB (0.38) TP53LMNAPOLBKMT2A
Hydrochloric Acid SCHEMBL28707646 0.79 CA1 (0.37) MAPTTP53LMNAALDH1A1CA1
Bromide SCHEMBL28376642 0.79 CA1 (0.37) MAPTTP53LMNAALDH1A1CA1
Hydrochloric Acid SCHEMBL2939456 0.79 CA1 (0.37) MAPTTP53LMNAALDH1A1CA1
Iodide SCHEMBL28977654 0.79 CA1 (0.37) MAPTTP53LMNAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980423-B A kind of temperature-sensitive nano gel based on hydroxyl imidazole ion liquid and preparation method thereof NORTHWEST NORMAL UNIVERSITY (CN) 2016-05-11 — — CN claimed
CN-103980423-A Temperature-sensitive nanogel based on hydroxyl imidazole ionic liquid and preparation method thereof UNIV NORTHWEST NORMAL 2014-08-13 — — CN claimed
EP-2257669-B1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF UNIV ALABAMA (US) 2017-03-22 — — EP disclosed
US-9394375-B2 Compositions containing recyclable ionic liquids for use in biomass processing BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-07-19 — — US disclosed
CN-103980423-B A kind of temperature-sensitive nano gel based on hydroxyl imidazole ion liquid and preparation method thereof NORTHWEST NORMAL UNIVERSITY (CN) 2016-05-11 — — CN disclosed
WO-2014172703-A1 CHITIN AND ALGINATE COMPOSITE FIBERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-10-23 — — WO disclosed
CN-103980423-A Temperature-sensitive nanogel based on hydroxyl imidazole ionic liquid and preparation method thereof UNIV NORTHWEST NORMAL 2014-08-13 — — CN disclosed
US-8668807-B2 Ionic liquid systems for the processing of biomass, their components and/or derivatives, and mixtures thereof BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-03-11 — — US disclosed
WO-2014018586-A1 PROCESS FOR ELECTROSPINNING CHITIN FIBERS FROM CHITINOUS BIOMASS SOLUTION AND FIBERS AND ARTICLES PRODUCED THEREBY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-01-30 — — WO disclosed
US-20120245336-A1 COMPOSITIONS CONTAINING RECYCLABLE IONIC LIQUIDS FOR USE IN BIOMASS PROCESSING BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-09-27 — — US disclosed
US-20100319862-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-12-23 — — US disclosed
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