SCHEMBL3433643

SCHEMBL3433643

CC(C)N(C(=O)Oc1ccc(C#N)cc1)c1ccc2nc(S)sc2c1.CC(C)N(C(=O)Oc1ccc(Cl)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DYRK1A Q13627 1/20 0.36
CA2 P00918 3/20 0.36
ITK Q08881 1/20 0.35
APP P05067 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MAPT P10636 2/20 0.35
GSK3B P49841 1/20 0.35
SCN9A Q15858 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
GALK1 P51570 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL2866011 0.95 DYRK1A (0.39) DYRK1ACA2ITKAPPMAPT
SCHEMBL2855117 0.92 CA2 (0.40) DYRK1ACA2MAPTMEN1KMT2A
SCHEMBL2859515 0.83 CA2 (0.37) CA2APPMAPTGSK3BMEN1
SCHEMBL544321 0.83 MAPT (0.38) CA2MAPTMEN1KMT2APOLB
SCHEMBL2869556 0.81 MAPT (0.40) CA2MAPTKDM4EMEN1ALDH1A1
SCHEMBL2859668 0.81 GSK3B (0.37) DYRK1ACA2ITKAPPGSK3B
SCHEMBL2862832 0.80 CA2 (0.47) CA2
SCHEMBL2855233 0.80 MAPT (0.45) DYRK1ACA2MAPT
SCHEMBL3404963 0.79 MAPT (0.35) CYP11B1CYP11B2CA2MAPTGSK3B
SCHEMBL2854987 0.78 MAPT (0.47) DYRK1AAPPSIRT2MAPTGSK3B

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed