SCHEMBL6904425

SCHEMBL6904425

O=C(CCl)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
ERCC1 P07992 3/20 0.45
ERCC4 Q92889 3/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
TRPA1 O75762 1/20 0.43
MAPK1 P28482 1/20 0.43
GSK3B P49841 1/20 0.43
HIF1A Q16665 1/20 0.43
AKR1C3 P42330 1/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Chloroacetic Acid SCHEMBL8697102 0.83 ABAT (0.47) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL27791662 0.81 ERCC1 (0.46) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL22930903 0.80 MAPT (0.45) MAPTLMNAKDM4EPKMGAA
SCHEMBL10665537 0.79 PKM (0.47) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL11667801 0.79 ERCC1 (0.49) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL6696349 0.78 ERCC1 (0.47) ALDH1A1MAPTERCC1ERCC4LMNA
Hypochlorous Acid SCHEMBL11153596 0.78 ABAT (0.50) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL41828 0.78 ABAT (0.53) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL1330698 0.78 ABAT (0.53) ALDH1A1MAPTERCC1ERCC4LMNA
SCHEMBL7785939 0.78 ABAT (0.53) ALDH1A1MAPTERCC1ERCC4LMNA

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
US-20040118035-A1 Olefin polymerization catalyst and process and polymer, polymer derivatives, lubricants and fuels thereof LUBRIZOL CORPORATION, THE 2004-06-24 US disclosed
EP-1282652-A2 OLEFIN POLYMERIZATION CATALYST AND PROCESS AND POLYMER, POLYMER DERIVATIVES, LUBRICANTS AND FUELS THEREOF The Lubrizol Corporation (US) 2003-02-12 EP disclosed
WO-2001087996-A2 OLEFIN POLYMERIZATION CATALYST AND PROCESS AND POLYMER, POLYMER DERIVATIVES, LUBRICANTS AND FUELS THEREOF THE LUBRIZOL CORPORATION (US) 2001-11-22 WO disclosed