SCHEMBL20804281

SCHEMBL20804281

C/C=C\C(=O)N(C=O)Cc1cc(F)c(C)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RIPK1 Q13546 1/20 0.32
MEP1B Q16820 1/20 0.31
RAB9A P51151 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
SCHEMBL20804162 0.71 HDAC1 (0.33) HDAC1HDAC6RIPK1MEP1B
SCHEMBL12657847 0.66 CYP3A4 (0.40) CYP3A4LMNA
SCHEMBL18893606 0.65 CYP3A4 (0.30) CYP3A4LMNA
SCHEMBL19402644 0.63 TDP1 (0.36) CYP3A4LMNA
SCHEMBL22992436 0.60 KDM7A (0.31) HDAC1
SCHEMBL22883181 0.60 ALDH1A1 (0.33)
SCHEMBL13973878 0.60 CA12 (0.35) CYP3A4LMNA
SCHEMBL10547452 0.60 BMP1 (0.34)
SCHEMBL585097 0.59 HDAC1 (0.34) HDAC1HDAC6
SCHEMBL23964013 0.59

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