SCHEMBL9853536

SCHEMBL9853536

N=C(Nc1ccccc1)C(C(=O)NN)c1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
TP53 P04637 1/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 2/20 0.34
ATM Q13315 2/20 0.34
NPC1 O15118 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SERPINE1 P05121 1/20 0.34

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
SCHEMBL9853493 0.87 MAPT (0.39) MAPTLMNAALDH1A1NPSR1MAPK13
SCHEMBL9853506 0.73 MAPT (0.37) MAPTLMNAMEN1KMT2AMAPK13
SCHEMBL9853532 0.73 S100B (0.44) MAPTLMNAALDH1A1RAB9AMEN1
SCHEMBL11229013 0.72 MAPT (0.40) MAPTLMNAALDH1A1MAPK13MAPK12
SCHEMBL9853515 0.72 MEN1 (0.36) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9853538 0.70 MEN1 (0.35) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL27536792 0.69 MAPT (0.40) MAPTLMNAALDH1A1NPSR1MAPK14
SCHEMBL23337438 0.68 MAPT (0.55) MAPTALDH1A1NPSR1MAPK13MAPK12
SCHEMBL14917164 0.68 MAPT (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1569040 0.67 ALOX15 (0.41) MAPTALDH1A1NPSR1MAPK14GAA

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