SCHEMBL7755151

SCHEMBL7755151

CN1c2ccccc2C(C(=S)Oc2ccc(C(F)(F)F)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KIF11 P52732 1/20 0.35
EGFR P00533 2/20 0.35
SRC P12931 1/20 0.35
HSD17B1 P14061 1/20 0.34
TACR1 P25103 1/20 0.34
ACHE P22303 2/20 0.34
ENPP2 Q13822 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7022484 0.85 HDAC4 (0.43) HDAC4HDAC7HDAC5SLC6A2SLC6A4
SCHEMBL5161928 0.84 HDAC4 (0.47) HDAC4HDAC7HDAC5SLC6A2SLC6A4
SCHEMBL7025463 0.83 HDAC4 (0.44) HDAC4HDAC7HDAC5SLC6A2SLC6A4
SCHEMBL7755709 0.83 HDAC4 (0.44) HDAC4HDAC7HDAC5SLC6A2SLC6A4
SCHEMBL5705454 0.82 HDAC4 (0.43) HDAC4HDAC7HDAC5SLC6A2SLC6A4
SCHEMBL29446488 0.82 HDAC4 (0.43) HDAC4HDAC7HDAC5SLC6A2SLC6A4
Trifluoromethanesulfonic Acid SCHEMBL7030203 0.81 HDAC4 (0.39) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8740702 0.79 HDAC4 (0.40) HDAC4HDAC7HDAC5SLC6A2SLC6A4
SCHEMBL7755731 0.78 HDAC4 (0.42) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7026633 0.77 HDAC4 (0.43) HDAC4HDAC7HDAC5SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755457-B1 Novel Aryl-N-Alkylacridanthiocarboxylate derivatives useful for chemiluminescent detection LUMIGEN INC (US) 2001-02-21 EP claimed
EP-0755457-A4 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1997-07-16 EP claimed
EP-0755457-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-29 EP claimed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 US claimed
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO claimed
EP-0755457-B1 Novel Aryl-N-Alkylacridanthiocarboxylate derivatives useful for chemiluminescent detection LUMIGEN INC (US) 2001-02-21 EP disclosed
EP-0755457-A4 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1997-07-16 EP disclosed
EP-0755457-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-29 EP disclosed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 US disclosed
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO disclosed