SCHEMBL20100622

SCHEMBL20100622

CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)N(CCCCCCCCCCCC)CC(=O)I

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.44
CA1 P00915 9/20 0.44
CA2 P00918 7/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 3/20 0.43
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
MGLL Q99685 1/20 0.40
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34

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
SCHEMBL4061196 0.87 CA12 (0.52) CA12CA1CA2CA4CA9
SCHEMBL20100621 0.84 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL22667659 0.82 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL10181438 0.82 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL22683217 0.81 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL25315672 0.77 LMNA (0.46) CA12CA1CA2CA4CA9
SCHEMBL20589908 0.77 KDM5A (0.44) CA12CA1CA2CA4CA9
SCHEMBL25336856 0.77 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL5346712 0.76 TSHR (0.52) CA12CA1CA2CA4CA9
SCHEMBL27386844 0.75 CA12 (0.37) CA12CA1CA2CA4CA9

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-2018081459-A1 MESSENGER RIBONUCLEIC ACIDS FOR ENHANCING IMMUNE RESPONSES AND METHODS OF USE THEREOF MODERNATX, INC. (US) 2018-05-03 WO disclosed