SCHEMBL7796551

SCHEMBL7796551

COc1ccc2c(c1OS(=O)(=O)C(F)(F)F)C(C(=O)Oc1c(F)ccc(F)c1F)c1ccccc1N2C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL7793213 0.90 MAPT (0.32) MEN1MAPTKMT2A
SCHEMBL6587836 0.88 DRD2 (0.36) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL7793796 0.86 ALDH1A1 (0.33) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL27488661 0.83 HDAC4 (0.40) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL7796579 0.82 DRD2 (0.38) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL8688713 0.80 KMT2A (0.36) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL7795307 0.79 KMT2A (0.34) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL29382936 0.78 HDAC4 (0.48) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL3859311 0.78 HDAC4 (0.48) HDAC4HDAC7HDAC5MEN1MAPT
SCHEMBL7588820 0.76 HDAC4 (0.40) HDAC4HDAC7HDAC5MEN1MAPT

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 3 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