SCHEMBL7795307

SCHEMBL7795307

COc1cc(OS(=O)(=O)C(F)(F)F)c2c(c1)N(C)c1ccccc1C2C(=O)Oc1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 6/20 0.33
DRD1 P21728 3/20 0.33
DRD4 P21917 3/20 0.33
DRD5 P21918 3/20 0.33
DRD3 P35462 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7793796 0.93 ALDH1A1 (0.33) KMT2AMEN1MAPTALDH1A1HDAC4
SCHEMBL7796579 0.89 DRD2 (0.38) KMT2AMEN1MAPTHDAC4HDAC7
SCHEMBL6587836 0.83 DRD2 (0.36) KMT2AMEN1MAPTHDAC4HDAC7
SCHEMBL7787007 0.81 MEN1 (0.41) KMT2AMEN1MAPTALDH1A1HDAC4
SCHEMBL5705543 0.80 DRD2 (0.39) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL7024588 0.80 DRD2 (0.37) KMT2AMEN1MAPTHDAC4HDAC7
SCHEMBL6256438 0.79 DRD2 (0.38) KMT2AMEN1ALDH1A1HDAC4HDAC7
SCHEMBL7787043 0.79 DRD2 (0.38) KMT2AMEN1MAPTHDAC4HDAC7
SCHEMBL7796551 0.79 HDAC4 (0.32) KMT2AMEN1MAPTHDAC4HDAC7
SCHEMBL2996951 0.79 HDAC4 (0.44) KMT2AMEN1MAPTHDAC4HDAC7

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 6 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
EP-0750748-A4 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1997-04-16 EP 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
EP-0750748-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-02 EP disclosed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO disclosed