SCHEMBL1668112

SCHEMBL1668112

C/C=C(\C)c1c(C(N)=O)c2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
USP14 P54578 1/20 0.36
REN P00797 4/20 0.36
KDM4E B2RXH2 1/20 0.36
FEN1 P39748 1/20 0.36
PPARG P37231 1/20 0.35
PDE4A P27815 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
AKT1 P31749 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
MAPK8 P45983 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL1668111 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1USP14RENKDM4E
SCHEMBL1668113 1.00 HSP90AA1 (0.41) HSP90AA1HSP90AB1USP14RENKDM4E
SCHEMBL1667729 0.86 NTRK1 (0.33) HSP90AA1HSP90AB1USP14RENFEN1
SCHEMBL1667736 0.86 NTRK1 (0.33) HSP90AA1HSP90AB1USP14RENFEN1
SCHEMBL1667731 0.86 NTRK1 (0.33) HSP90AA1HSP90AB1USP14RENFEN1
SCHEMBL1667733 0.82 FEN1 (0.32) USP14KDM4EFEN1PPARGMAPK8
SCHEMBL1667574 0.81 FEN1 (0.40) HSP90AA1HSP90AB1KDM4EFEN1PPARG
SCHEMBL1667571 0.81 FEN1 (0.40) HSP90AA1HSP90AB1KDM4EFEN1PPARG
SCHEMBL1667570 0.81 FEN1 (0.40) HSP90AA1HSP90AB1KDM4EFEN1PPARG
SCHEMBL1076224 0.81 EGFR (0.41) USP14KDM4EPPARGEGFRSRC

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
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO claimed