SCHEMBL7796561

SCHEMBL7796561

CN1c2ccccc2C(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)c2c(OS(=O)(=O)C(F)(F)F)cccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
DRD2 P14416 10/20 0.36
DRD4 P21917 7/20 0.36
DRD3 P35462 7/20 0.36
DRD1 P21728 5/20 0.36
DRD5 P21918 5/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PTGER3 P43115 1/20 0.32
HTR5A P47898 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
BDKRB1 P46663 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.30

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
SCHEMBL7793782 0.88 DRD2 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5705543 0.86 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2996951 0.85 HDAC4 (0.44) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7024588 0.84 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6255238 0.84 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7787043 0.83 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6256438 0.83 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7796579 0.83 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7795324 0.81 HDAC4 (0.48) FABP7FABP3FABP5HDAC4HDAC7
SCHEMBL6587836 0.81 DRD2 (0.36) DRD2DRD4DRD3DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP disclosed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US disclosed
US-5593845-A BY REACTION WITH PEROXIDES AND PEROXIDASE; DETECTION OF HAPTENS, PROTEINS, ANTIBODIES IN ENZYME IMMUNOASSAY LUMIGEN, INC. (US) 1997-01-14 US disclosed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO disclosed