SCHEMBL8740675

SCHEMBL8740675

CN1c2ccccc2C(C(=S)Oc2cccc(Cl)c2Cl)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
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 5/20 0.33
DRD4 P21917 2/20 0.33
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL7752453 0.85 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8740676 0.80 HDAC4 (0.41) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL5705454 0.77 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL29446488 0.77 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8740702 0.76 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL5161928 0.76 HDAC4 (0.47) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7022667 0.75 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7022484 0.74 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8741648 0.74 FABP3 (0.48) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7755709 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 disclosed
EP-0755457-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-29 EP disclosed
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO disclosed