SCHEMBL9853493

SCHEMBL9853493

N=C(N)C(C(=O)NN)c1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
S100B P04271 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
GAA P10253 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TP53 P04637 1/20 0.35
GABRP O00591 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
SCHEMBL9853536 0.87 MAPT (0.39) MAPTALDH1A1LMNACNR1MAPK14
SCHEMBL9853532 0.86 S100B (0.44) MAPTALOX15S100BALDH1A1LMNA
SCHEMBL9853506 0.81 MAPT (0.37) MAPTALOX15S100BLMNAMAPK14
SCHEMBL9853515 0.79 MEN1 (0.36) MAPTALOX15S100BALDH1A1LMNA
SCHEMBL9853538 0.78 MEN1 (0.35) MAPTALOX15S100BALDH1A1LMNA
SCHEMBL11229013 0.73 MAPT (0.40) MAPTALOX15S100BALDH1A1LMNA
SCHEMBL1569040 0.72 ALOX15 (0.41) MAPTALOX15S100BALDH1A1MAPK14
SCHEMBL27536792 0.72 MAPT (0.40) MAPTALOX15S100BALDH1A1LMNA
SCHEMBL11224675 0.71 ALOX15 (0.40) MAPTALOX15S100BALDH1A1LMNA
SCHEMBL23337438 0.71 MAPT (0.55) MAPTALOX15S100BALDH1A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP claimed
EP-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP disclosed