SCHEMBL13639879

SCHEMBL13639879

Cc1ccc(-c2ccc3c(C=O)c(C)ccc3c2)cc1F

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.79
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL12767141 0.88 ERN1 (1.00) ERN1ESR1ESR2
SCHEMBL3268890 0.80 ERN1 (0.52) ERN1TNKS2
SCHEMBL18717073 0.79 ERN1 (0.59) ERN1ESR1ESR2TNKS2
SCHEMBL812303 0.76 LMNA (0.53) ERN1
SCHEMBL13063519 0.75 ERN1 (0.74) ERN1
SCHEMBL12675819 0.75 ERN1 (0.48) ERN1
SCHEMBL3268752 0.73 ERN1 (0.46) ERN1
SCHEMBL12377626 0.73 NISCH (0.52) ERN1TNKS2
SCHEMBL12675316 0.72 ERN1 (0.56) ERN1
SCHEMBL3267728 0.71 ERN1 (0.43) ERN1

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-2532643-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-12-12 EP disclosed
EP-2520561-A1 IRE-1A Inhibitors MannKind Corporation (US) 2012-11-07 EP disclosed
WO-2008154484-A1 IRE-1A INHIBITORS MANNKIND CORPORATION (US) 2008-12-18 WO disclosed