SCHEMBL23399119

SCHEMBL23399119

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
TP53 P04637 2/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ICMT O60725 11/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.37
CNR2 P34972 1/20 0.36
TDP2 O95551 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
SCHEMBL23401175 0.93 TLR8 (0.40) TLR8TP53KDM4EPOLBSMN1; SMN2
SCHEMBL23402944 0.87 SMN1; SMN2 (0.39) TLR8TP53POLBSMN1; SMN2TDP2
SCHEMBL23400543 0.87 TLR8 (0.43) TLR8TP53ADORA3ADORA2AICMT
SCHEMBL23400604 0.87 TLR8 (0.43) TLR8TP53ADORA3ADORA2AICMT
SCHEMBL23398972 0.86 SMN1; SMN2 (0.47) POLBSMN1; SMN2HSD11B1
SCHEMBL23400538 0.85 TLR8 (0.41) TLR8TP53ADORA3ADORA2AICMT
SCHEMBL23398610 0.84 SRC (0.46) TLR8TP53ADORA3ADORA2AICMT
SCHEMBL23400291 0.83 ALDH1A1 (0.44) TLR8TP53ADORA3ADORA2AKDM4E
SCHEMBL23399530 0.83 RIPK2 (0.49) TLR8TP53ADORA3ADORA2AICMT
SCHEMBL23399773 0.83 SMN1; SMN2 (0.43) TLR8TP53ADORA3ADORA2AKDM4E

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