SCHEMBL7752463

SCHEMBL7752463

CN1c2ccccc2C(C(O)=S)c2c(-c3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
EGFR P00533 2/20 0.40
SRC P12931 1/20 0.40
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
GPR3 P46089 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 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
SCHEMBL2218310 0.86 HDAC4 (0.50) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7756492 0.85 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7758341 0.84 HDAC4 (0.40) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL5705606 0.81 HDAC4 (0.56) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8331436 0.80 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
Chlorobenzene SCHEMBL28307149 0.74 HDAC4 (0.49) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL3772653 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7787066 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL8876764 0.71 HDAC4 (0.43) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7755161 0.70 HDAC4 (0.42) 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 1 patent. 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