SCHEMBL8599037

SCHEMBL8599037

O=C(C[n+]1ccccc1)NN(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HSP90AA1 P07900 3/20 0.46
ACHE P22303 2/20 0.44
PABPC1 P11940 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7048071 0.72 HSP90AA1 (0.50) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL16674109 0.72 HSP90AA1 (0.59) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL297246 0.72 HSP90AA1 (0.50) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL8120184 0.72 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1POLBMAPK1
Hydrochloric Acid SCHEMBL713375 0.71 HSP90AA1 (0.53) KMT2AL3MBTL1ALDH1A1POLBMAPK1
Hydrochloric Acid SCHEMBL5847774 0.71 HSP90AA1 (0.53) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL7045863 0.69 HSP90AA1 (0.47) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL5327423 0.69 LMNA (0.53) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL8432632 0.68 HSP90AA1 (0.54) KMT2AL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL13965280 0.68 KMT2A (0.55) KMT2AL3MBTL1ALDH1A1POLBMAPK1

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
US-5726314-A ACETYLCHOLINESTERASE INHIBITORS AS NERVE AGENT ANTIDOTES GEORGIA TECH RESEARCH CORP. (US) 1998-03-10 US disclosed