SCHEMBL20748348

SCHEMBL20748348

COC(=O)CC1C=CC(OC)=C(N)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
MIF P14174 5/20 0.34
HDAC6 Q9UBN7 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16614334 0.76 NFKB1 (0.44) BRD4MIFHDAC6GAAKMT2A
SCHEMBL13740156 0.67 BRD4 (0.34) BRD4MIFHDAC6GAAKMT2A
SCHEMBL20809859 0.66 BRD4 (0.33) BRD4MIFHDAC6GAAKMT2A
SCHEMBL16287303 0.65
SCHEMBL12848161 0.64 TSHR (0.33) BRD4MIFHDAC6GAAKMT2A
SCHEMBL16614390 0.61 TSHR (0.34) BRD4MIFHDAC6GAA
SCHEMBL1691605 0.61 USP2 (0.46) BRD4MIFHDAC6GAA
SCHEMBL13359529 0.61 USP2 (0.46) BRD4MIFHDAC6GAA
SCHEMBL18194690 0.61 TSHR (0.34) BRD4MIFHDAC6GAA
SCHEMBL18194648 0.61 TSHR (0.34) BRD4MIFHDAC6GAA

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-2928869-B1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed