SCHEMBL6409045

SCHEMBL6409045

C=CN(C)C(C)=O.C=CN1CCCC1=O

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL28051833 0.89 BRD4 (0.35) BRD4BRD2LMNACA12CA1
Acetic Acid SCHEMBL887070 0.83 BRD4 (0.39) BRD4BRD2LMNACA12CA1
Acetamide SCHEMBL28242549 0.82 TSHR (0.42) BRD4BRD2LMNACA12CA1
Acetic Acid SCHEMBL27448041 0.82 BRD4 (0.38) BRD4BRD2LMNACA12CA1
Methyl Alcohol SCHEMBL9485563 0.81 BRD4 (0.43) BRD4BRD2LMNACA12CA1
Acetic Acid SCHEMBL28084245 0.80 BRD4 (0.36) BRD4BRD2LMNACA12CA1
Bicarbonate SCHEMBL28233410 0.79 LMNA (0.39) BRD4BRD2LMNACA12CA1
SCHEMBL29290953 0.79 BRD4 (0.33) BRD4BRD2TSHR
SCHEMBL5140658 0.79 BRD4 (0.33) BRD4BRD2LMNACA12CA1
Hydrogen Peroxide SCHEMBL2561887 0.79 BRD4 (0.39) BRD4BRD2LMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143482-A1 Method for producing superabsorbing polymers VEPETEX B.V. (NL) 2005-06-30 US claimed
EP-1522545-A1 Method for producing superabsorbing polymers Vepetex B.V. (NL) 2005-04-13 EP claimed
US-4853438-A Water-soluble polymers bearing quaternary ammonium or pyridinium groups and alkoxysilyl groups, a method for their preparation, and the use thereof BERNHARDT GUENTHER (DE) 1989-08-01 US disclosed