SCHEMBL15062452

SCHEMBL15062452

COc1ccc2c(c1F)c(OC(C)=O)c(C)n2C(=O)c1csc(SC(F)F)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL15062537 0.90 PTGS2 (0.31)
SCHEMBL15062663 0.89
SCHEMBL15062421 0.88 TUBB1 (0.30) TUBB1
SCHEMBL15062727 0.86
SCHEMBL15062743 0.84
SCHEMBL2009923 0.83 AKR1C3 (0.44)
SCHEMBL15062431 0.83
SCHEMBL15062379 0.83 PTGS1 (0.31)
SCHEMBL5551297 0.83 AKR1C3 (0.33) TUBB1
SCHEMBL15062691 0.80 PTGS1 (0.42)

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-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed