SCHEMBL7796579

SCHEMBL7796579

CN1c2ccccc2C(C(=O)Oc2c(F)cccc2F)c2c(OS(=O)(=O)C(F)(F)F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.38
DRD4 P21917 7/20 0.38
DRD3 P35462 7/20 0.38
DRD1 P21728 5/20 0.38
DRD5 P21918 5/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HTR5A P47898 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
HSD17B1 P14061 1/20 0.31

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
SCHEMBL6587836 0.93 DRD2 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6256438 0.90 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7795307 0.89 KMT2A (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5705543 0.89 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6255238 0.88 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7787043 0.88 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2996951 0.87 HDAC4 (0.44) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7793782 0.87 DRD2 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7024588 0.86 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7796561 0.83 FABP7 (0.38) 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