SCHEMBL22105296

SCHEMBL22105296

CSCN1C(=O)C=C(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JUN P05412 4/20 0.34
NFKB1 P19838 4/20 0.34
NFKB2 Q00653 4/20 0.34
RELA Q04206 4/20 0.34
FOS P01100 3/20 0.34
XPO1 O14980 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
SCHEMBL4395914 0.78 MGLL (0.33) XPO1
SCHEMBL11805906 0.78 XPO1 (0.33) XPO1
SCHEMBL4011867 0.76 ALDH1A1 (0.48) JUNNFKB1NFKB2RELAFOS
SCHEMBL2464170 0.75 KDM4E (0.43)
SCHEMBL22403738 0.74 XPO1 (0.32) XPO1
SCHEMBL6881981 0.74 RGS4 (0.32) XPO1
SCHEMBL8883684 0.74 MGLL (0.46)
SCHEMBL8885500 0.74 MGLL (0.41)
SCHEMBL12583854 0.73 CA12 (0.41) JUNNFKB1NFKB2RELA
SCHEMBL9206470 0.73 NPC1 (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
WO-2020123946-A1 COATING COMPOSITIONS MATERIA, INC. (US) 2020-06-18 WO disclosed