SCHEMBL19980948

SCHEMBL19980948

C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)c1ccc(NNc2ccc(N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.39
TSHR P16473 4/20 0.37
CYP2D6 P10635 2/20 0.37
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 2/20 0.35
PSMD14 O00487 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL19980921 0.92 PHLPP2 (0.44) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL19980954 0.87 PHLPP2 (0.40) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL19981017 0.87 PHLPP2 (0.40) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL19903970 0.85 TSHR (0.49) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL18633382 0.84 PHLPP2 (0.38) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL19980943 0.82 PHLPP2 (0.37) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL3192372 0.79 CA1 (0.43) TSHRNPSR1TDP1POLBAPEX1
SCHEMBL31582668 0.78 POLB (0.44) TSHRCYP2D6TDP1POLBAPEX1
SCHEMBL11980056 0.77 PHLPP2 (0.49) PHLPP2TSHRCYP2D6MAOAHTR3A
SCHEMBL19904003 0.77 PHLPP2 (0.33) PHLPP2TSHRCYP2D6MAOAHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed