SCHEMBL4732348

SCHEMBL4732348

O=C(O)CCc1c(Br)cc(I)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 10/20 0.46
NPSR1 Q6W5P4 2/20 0.39
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
KEAP1 Q14145 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL18606621 0.80 GPR17 (0.59) GPR17NPSR1THRATHRBKEAP1
SCHEMBL18982683 0.79 NPSR1 (0.44) GPR17NPSR1THRATHRBKEAP1
SCHEMBL9637092 0.79 GPR17 (0.57) GPR17NPSR1THRATHRBKEAP1
SCHEMBL4299650 0.77 POLB (0.50) GPR17NPSR1THRATHRBFFAR1
SCHEMBL15692965 0.76 NPSR1 (0.44) GPR17NPSR1THRATHRBKEAP1
SCHEMBL4035681 0.75 GPR17 (0.57) GPR17THRATHRBKEAP1FFAR1
SCHEMBL10495792 0.73 GPR17 (0.41) GPR17NPSR1THRATHRBKEAP1
SCHEMBL10495701 0.71 GPR17 (0.39) GPR17NPSR1THRATHRBKEAP1
SCHEMBL10495683 0.69 GPR17 (0.38) GPR17NPSR1THRATHRBFFAR1
SCHEMBL11406069 0.69 KEAP1 (0.41) GPR17NPSR1KEAP1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed