SCHEMBL5227958

SCHEMBL5227958

Cc1nc(/C=C(\Cl)C(=O)O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ECE1 P42892 2/20 0.36
GRM5 P41594 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6139668 0.80 MAPT (0.39) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL6139665 0.80 MAPT (0.39) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL5229133 0.80 MAPT (0.39) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL6139944 0.77 KDM4E (0.41) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL6139945 0.77 KDM4E (0.41) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL6139938 0.77 KDM4E (0.41) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL13295205 0.75 KDM4E (0.45) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL6139687 0.74 KDM4E (0.37) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL5231257 0.74 KDM4E (0.37) KDM4EMAPTHSD17B10HDAC1HDAC2
SCHEMBL5231263 0.74 KDM4E (0.37) KDM4EMAPTHSD17B10HDAC1HDAC2

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-1150980-B1 16-HALOGEN-EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-08-22 EP disclosed