SCHEMBL5318489

SCHEMBL5318489

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TPMT P51580 1/20 0.39
MGLL Q99685 1/20 0.39
MDM2 Q00987 2/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PDPK1 O15530 1/20 0.36

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
SCHEMBL5339310 0.91 CES2 (0.48) GSK3BCES2CES1ALOX15TSHR
SCHEMBL5319603 0.84 KMT2A (0.53) GSK3BCES2CES1ALOX15TSHR
SCHEMBL5334151 0.84 KMT2A (0.53) GSK3BCES2CES1ALOX15TSHR
SCHEMBL10392108 0.83 MDM2 (0.47) CES2CES1MDM2
SCHEMBL1481451 0.83 CES2 (0.56) CES2CES1TSHRMDM2KMT2A
SCHEMBL13178294 0.82 GSK3B (0.60) GSK3BCES2CES1TPMTCA1
SCHEMBL4016467 0.82 CES2 (0.52) CES2CES1ALOX15TSHRKMT2A
SCHEMBL627839 0.82 CES2 (0.53) CES2CES1ALOX15TSHRKMT2A
SCHEMBL20429583 0.81 GSK3B (0.42) GSK3BCES2CES1ALOX15TSHR
SCHEMBL7144679 0.79 CYP19A1 (0.48) GSK3BCES2CES1ALOX15TSHR

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