SCHEMBL23399731

SCHEMBL23399731

Cc1cccc(-c2nn(C(C)(C)C)c(O)c2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.56
SRC P12931 3/20 0.52
ABL1 P00519 1/20 0.52
IDO1 P14902 2/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK14 Q16539 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL23398426 0.85 RIPK2 (0.54) RIPK2SRCABL1IDO1CNR1
SCHEMBL23402057 0.84 RIPK2 (0.53) RIPK2SRCABL1CNR1CNR2
SCHEMBL23403410 0.84 SRC (0.46) RIPK2SRCABL1LMNAALDH1A1
SCHEMBL23398378 0.83 RIPK2 (0.52) RIPK2SRCABL1IDO1CNR1
SCHEMBL23399653 0.83 RIPK2 (0.52) RIPK2SRCABL1IDO1CNR1
SCHEMBL23399111 0.83 RIPK2 (0.52) RIPK2SRCABL1CNR1CNR2
SCHEMBL31617440 0.82 RIPK2 (0.56) RIPK2SRCABL1IDO1CNR1
SCHEMBL23401367 0.81 RIPK2 (0.53) RIPK2SRCABL1CNR1CNR2
SCHEMBL23401790 0.81 RIPK2 (0.48) RIPK2SRCABL1LMNAALDH1A1
SCHEMBL23398748 0.80 TDP2 (0.42) RIPK2SRCABL1IDO1ALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed