SCHEMBL7793796

SCHEMBL7793796

COc1cc(OS(=O)(=O)C(F)(F)F)c2c(c1)N(C)c1ccccc1C2C(=O)Oc1c(F)ccc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7795307 0.93 KMT2A (0.34) ALDH1A1HPGDHDAC4HDAC7HDAC5
SCHEMBL6587836 0.88 DRD2 (0.36) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL7796551 0.86 HDAC4 (0.32) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL7796579 0.82 DRD2 (0.38) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL7793213 0.81 MAPT (0.32) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL914119 0.80 HDAC4 (0.39) ALDH1A1HDAC4HDAC7HDAC5DRD1
SCHEMBL27488661 0.79 HDAC4 (0.40) ALDH1A1HPGDHDAC4HDAC7HDAC5
SCHEMBL7787045 0.79 HDAC4 (0.39) ALDH1A1HDAC4HDAC7HDAC5MEN1
SCHEMBL7592395 0.78 TAS1R3 (0.34) MEN1MAPTKMT2A
SCHEMBL3859311 0.78 HDAC4 (0.48) ALDH1A1HDAC4HDAC7HDAC5MEN1

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