SCHEMBL8941729

SCHEMBL8941729

Cn1c(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
APOBEC3G Q9HC16 1/20 0.48
TP53 P04637 1/20 0.47
MAOB P27338 3/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
TBXAS1 P24557 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL29390286 1.00 XDH (0.54) XDHMEN1KMT2ANPC1RAB9A
SCHEMBL15154711 0.77 NPC1 (0.70) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL20179446 0.73 XDH (0.62) XDHMEN1KMT2ANPC1RAB9A
SCHEMBL22381452 0.71 XDH (0.65) XDHMEN1KMT2AMAPTKDM4E
SCHEMBL22364269 0.70 XDH (0.67) XDHMEN1KMT2AMAPTKDM4E
SCHEMBL26985042 0.70 ALDH1A1 (0.57) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL30830447 0.70 ALDH1A1 (0.57) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL10144055 0.70 NPC1 (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7814149 0.67 NPC1 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6557523 0.66 NPC1 (0.77) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717591-A4 INSECTICIDAL COMPOSITION COMMW SCIENT IND RES ORG (AU) 1996-08-28 EP claimed
EP-0717591-A1 INSECTICIDAL COMPOSITION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-06-26 EP claimed
WO-1995007021-A1 INSECTICIDAL COMPOSITION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-03-16 WO claimed
EP-0717591-A4 INSECTICIDAL COMPOSITION COMMW SCIENT IND RES ORG (AU) 1996-08-28 EP disclosed
EP-0717591-A1 INSECTICIDAL COMPOSITION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-06-26 EP disclosed
WO-1995007021-A1 INSECTICIDAL COMPOSITION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-03-16 WO disclosed