SCHEMBL23399530

SCHEMBL23399530

CCCCc1c(-c2cccc(C)c2)nn(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.49
SRC P12931 2/20 0.46
ABL1 P00519 1/20 0.46
TP53 P04637 3/20 0.40
TLR8 Q9NR97 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA2A P29274 1/20 0.38
ICMT O60725 4/20 0.34
CDK2 P24941 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
MEN1 O00255 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
SCHEMBL23401367 0.94 RIPK2 (0.53) RIPK2SRCABL1TP53TLR8
SCHEMBL23399111 0.88 RIPK2 (0.52) RIPK2SRCABL1TP53NPC1
SCHEMBL23398636 0.87 HSD11B1 (0.40) SRCABL1TP53SMN1; SMN2MEN1
SCHEMBL23401638 0.84 ALDH1A1 (0.41) RIPK2SRCABL1TP53TLR8
SCHEMBL23399119 0.83 TLR8 (0.44) TP53TLR8ADORA3RXFP1ADORA2A
SCHEMBL23402568 0.82 RIPK2 (0.49) RIPK2SRCABL1NPC1POLB
SCHEMBL23400291 0.82 ALDH1A1 (0.44) TP53TLR8ADORA3RXFP1ADORA2A
SCHEMBL23400538 0.82 TLR8 (0.41) RIPK2TP53TLR8ADORA3RXFP1
SCHEMBL23401982 0.81 NPC1 (0.45) TP53TLR8ADORA3ADORA2ANPC1
SCHEMBL23398610 0.81 SRC (0.46) RIPK2SRCABL1TP53TLR8

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