SCHEMBL29953468

SCHEMBL29953468

CC(C)(C)OC(=O)Nc1c(C=O)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.40
ATR Q13535 1/20 0.40
MAOB P27338 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSS P25774 2/20 0.37
NFKB1 P19838 1/20 0.37
LCK P06239 1/20 0.36
RAB9A P51151 1/20 0.36
MIF P14174 1/20 0.35
MAOA P21397 1/20 0.35
BACE1 P56817 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL4071542 1.00 LMNA (0.49) LMNAPOLBRXFP1ATRMAOB
SCHEMBL2968874 0.83 ERN1 (0.42) LMNAPOLBRXFP1ATRLCK
SCHEMBL29954566 0.83 ERN1 (0.42) LMNAPOLBRXFP1ATRLCK
SCHEMBL29957958 0.82 LCK (0.49) ATRLCK
SCHEMBL29954888 0.81 LCK (0.49) LMNAATRSMN1; SMN2LCK
SCHEMBL4069463 0.80 MAOB (0.46) LMNAMAOBSMN1; SMN2CTSSNFKB1
SCHEMBL2198998 0.80 TLR2 (0.49) LMNAPOLBATRSMN1; SMN2
SCHEMBL29954491 0.80 TLR2 (0.49) LMNAPOLBATRSMN1; SMN2
SCHEMBL3532249 0.78 ATR (0.54) LMNAPOLBRXFP1ATR
SCHEMBL27289068 0.76 CA12 (0.46) LMNAPOLBRXFP1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed