SCHEMBL8740702

SCHEMBL8740702

CN1c2ccccc2C(C(=S)Oc2ccccc2C(F)(F)F)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ACHE P22303 4/20 0.35
FAAH O00519 2/20 0.35
BCHE P06276 2/20 0.35
HSD17B1 P14061 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 3/20 0.33
SSTR1 P30872 2/20 0.33
SSTR4 P31391 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7755151 0.79 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8740676 0.77 HDAC4 (0.41) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7022484 0.77 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7026633 0.77 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8740675 0.76 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL5161928 0.76 HDAC4 (0.47) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8331385 0.75 HDAC4 (0.50) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7022667 0.72 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7755709 0.72 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7025463 0.72 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC

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-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
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO claimed