SCHEMBL5319310

SCHEMBL5319310

O=C(c1ccc(Br)cc1)C(Br)C(C(=O)c1ccc(I)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
KMT2A Q03164 2/20 0.44
CNR1 P21554 4/20 0.39
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MDM2 Q00987 2/20 0.34
TP53 P04637 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MGLL Q99685 2/20 0.34
FFAR2 O15552 1/20 0.34
GPR183 P32249 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 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
SCHEMBL5873202 0.81 GSK3B (0.56) GSK3BKMT2ACNR1ALDH1A1MEN1
SCHEMBL5318489 0.77 GSK3B (0.56) GSK3BKMT2AMDM2HDAC4HDAC7
SCHEMBL5319603 0.76 KMT2A (0.53) GSK3BKMT2ACNR1TRPA1ALDH1A1
SCHEMBL5334151 0.76 KMT2A (0.53) GSK3BKMT2ACNR1TRPA1ALDH1A1
SCHEMBL11755351 0.72 KMT2A (0.53) GSK3BKMT2ACNR1TRPA1ALDH1A1
SCHEMBL11754114 0.72 KMT2A (0.53) GSK3BKMT2ACNR1TRPA1ALDH1A1
SCHEMBL5873189 0.71 CES2 (0.48) GSK3BKMT2AALDH1A1HDAC4HDAC7
SCHEMBL7734235 0.71 CES2 (0.56) GSK3BKMT2AALDH1A1HDAC4HDAC7
SCHEMBL17818509 0.71 CYP2A6 (0.44) KMT2ACNR1ALDH1A1MEN1
SCHEMBL27608931 0.69 KMT2A (0.47) GSK3BKMT2ACNR1TRPA1ALDH1A1

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-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed