SCHEMBL13610647

SCHEMBL13610647

CO/C(=N/Cl)c1ccoc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 1/20 0.34
PTK2 Q05397 1/20 0.34
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 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
SCHEMBL9211646 0.77 CYP3A4 (0.35) PTPN1PTPN6PTPN11KMT2ACYP1A2
SCHEMBL9211650 0.77 CYP3A4 (0.35) PTPN1PTPN6PTPN11KMT2ACYP1A2
SCHEMBL1822616 0.74
SCHEMBL12151890 0.71 TSHR (0.46) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL14595266 0.69
SCHEMBL12903086 0.69
SCHEMBL826948 0.69
SCHEMBL14325275 0.68 RAB9A (0.41) KMT2ACYP1A2MAPTKDM4EMEN1
SCHEMBL8166008 0.67 KMT2A (0.41) PTPN1PTPN6PTPN11KMT2ACYP1A2
SCHEMBL8166009 0.67 KMT2A (0.41) PTPN1PTPN6PTPN11KMT2ACYP1A2

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
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO disclosed