SCHEMBL8587207

SCHEMBL8587207

C=CC(=O)OCl.CC[N+](C)(C)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 4/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRA P10827 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PDE6D O43924 1/20 0.34
ALPL P05186 1/20 0.33

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
SCHEMBL2831035 0.84 TSHR (0.36) DNM1MEN1KMT2ATP53MAPK1
Acrylic Acid SCHEMBL28376719 0.82 DNM1 (0.42) DNM1MEN1KMT2ATP53MAPK1
Bromide SCHEMBL28188128 0.82 DNM1 (0.45) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL28211182 0.82 MEN1 (0.45) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL10584784 0.81 DNM1 (0.40) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL27794999 0.81 DNM1 (0.53) DNM1MEN1KMT2ATP53MAPK1
Acrylamide SCHEMBL28841196 0.79 HTT (0.45) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL27596994 0.78 ALDH1A1 (0.46) DNM1MEN1KMT2ATP53MAPK1
Ethyl Chloride SCHEMBL5032978 0.77 THRB (0.47) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL1286439 0.77 DNM1 (0.46) DNM1MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998034707-A1 METHOD OF PHOSPHORIC ACID CONCENTRATION AND FERTILIZER PRODUCTION KOPYLEVA BRONISLAVA (US) 1998-08-13 WO disclosed
EP-0183466-B1 PROCESS FOR THE PRODUCTION OF A WATER-SOLUBLE POLYMER DISPERSION HYMO CORPORATION (JP) 1990-08-29 EP disclosed
EP-0364175-A2 Process for the preparation of water-soluble cationic polymer HYMO CORPORATION (JP) 1990-04-18 EP disclosed