SCHEMBL20804243

SCHEMBL20804243

Cc1c(F)ccc(CN(C)C(=O)/C=C\C=O)c1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.39
MEP1B Q16820 2/20 0.35
MEP1A Q16819 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20804162 0.76 HDAC1 (0.33) RIPK1MEP1B
SCHEMBL20804235 0.71 HSP90AA1 (0.43) POLB
SCHEMBL22018330 0.69 NPC1 (0.54) RIPK1MEN1KMT2A
SCHEMBL20804153 0.67 HSP90AA1 (0.48) MEN1KMT2APOLBTDP1
SCHEMBL4621767 0.67 MAPK1 (0.36) RIPK1
SCHEMBL19577474 0.65 SMN1; SMN2 (0.56) MEN1KMT2ATDP1
SCHEMBL11967063 0.65 RIPK1 (0.38) RIPK1
SCHEMBL18216781 0.64 HTR2A (0.33) RIPK1HTR2A
SCHEMBL586106 0.63 CTSL (0.33)
SCHEMBL25583240 0.62 CASP1 (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