SCHEMBL16348347

SCHEMBL16348347

Oc1ccc(Br)cc1-c1nc(CCl)co1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
DRD4 P21917 8/20 0.56
DRD3 P35462 8/20 0.56
PTPN11 Q06124 1/20 0.47
IDO1 P14902 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 4/20 0.36
GFER P55789 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL16348383 0.85 DRD2 (0.56) DRD2DRD4DRD3IDO1MGAM
SCHEMBL16348343 0.84 PTPN11 (0.48) DRD2DRD4DRD3PTPN11IDO1
SCHEMBL28524363 0.78 PTPN11 (0.45) DRD2DRD4DRD3PTPN11MAPT
SCHEMBL2225496 0.74 HDAC1 (0.47) DRD2DRD4DRD3PTPN11MAPT
SCHEMBL27809529 0.72 MAPT (0.53) DRD2DRD4DRD3MAPTGFER
SCHEMBL6965803 0.72 HDAC1 (0.50) DRD2DRD4DRD3PTPN11GAA
SCHEMBL28330296 0.71 PIK3R1 (0.36) DRD2DRD4DRD3PTPN11MAPT
SCHEMBL28331654 0.71 PIK3R1 (0.36) DRD2DRD4DRD3PTPN11MAPT
SCHEMBL3070107 0.71 PTPN11 (0.50) DRD2DRD4DRD3PTPN11MAPT
SCHEMBL14060940 0.69 PTPN11 (0.54) PTPN11

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed