SCHEMBL20804162

SCHEMBL20804162

Cc1c(F)cc(CN(C)C(=O)/C=C\C=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RIPK1 Q13546 3/20 0.32
MEP1B Q16820 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
SCHEMBL20804235 0.77 HSP90AA1 (0.43)
SCHEMBL20804243 0.76 RIPK1 (0.39) RIPK1MEP1B
SCHEMBL20804153 0.75 HSP90AA1 (0.48)
SCHEMBL22018330 0.75 NPC1 (0.54) RIPK1
SCHEMBL19577474 0.71 SMN1; SMN2 (0.56)
SCHEMBL20804281 0.71 CYP3A4 (0.33) HDAC1HDAC6RIPK1MEP1B
SCHEMBL25583240 0.65 CASP1 (0.33)
SCHEMBL23870240 0.63 TRPA1 (0.42)
SCHEMBL4547660 0.63 ACHE (0.42) HDAC1HDAC6
SCHEMBL21788814 0.62 CA12 (0.33)

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-3089962-B1 RADIOIODINATED COMPOUNDS NUTECH VENTURES (US) 2019-03-13 EP disclosed