SCHEMBL9853530

SCHEMBL9853530

C/C(=N/N)OC(=N)N.Nc1c(Cl)cccc1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9853525 0.81 SMN1; SMN2 (0.46) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9853497 0.81 SMN1; SMN2 (0.46) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9853577 0.81 SMN1; SMN2 (0.46) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1569037 0.79 GAA (0.58) MAPK14L3MBTL1GAAKMT2AMAPT
SCHEMBL31366601 0.79 GAA (0.58) MAPK14L3MBTL1GAAKMT2AMAPT
SCHEMBL11320349 0.70 AKR1C3 (0.53) L3MBTL1GAANPC1RAB9ASMN1; SMN2
SCHEMBL6004442 0.70 MAPT (0.46) MAPK14L3MBTL1GAAKMT2AMAPT
SCHEMBL11320848 0.69 NR4A1 (0.56) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL11322571 0.69 KMT2A (0.72) GAANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10931534 0.68 MAPT (0.53) MAPK14GAAKMT2AMAPTLMNA

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-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