SCHEMBL28859627

SCHEMBL28859627

CCCCCCCCCCCCCCCCNc1ccnnn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 8/20 0.47
TLR8 Q9NR97 1/20 0.45
SOAT1 P35610 2/20 0.44
HCAR3 P49019 1/20 0.41
CYP4Z1 Q86W10 4/20 0.38
S1PR2 O95136 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3689385 1.00 DNM2 (0.47) DNM2TLR8SOAT1HCAR3CYP4Z1
SCHEMBL514929 0.98 TLR8 (0.46) DNM2TLR8SOAT1HCAR3CYP4Z1
SCHEMBL1638321 0.81 TLR8 (0.34) DNM2TLR8SOAT1HCAR3CYP4Z1
SCHEMBL28163938 0.79 SOAT1 (0.48) DNM2TLR8SOAT1HCAR3CYP4Z1
SCHEMBL17927689 0.77 SOAT1 (0.46) DNM2TLR8SOAT1HCAR3CYP4Z1
SCHEMBL4099219 0.74 KDM4E (0.40) LMNASMN1; SMN2
SCHEMBL23768365 0.74 SOAT1 (0.49) DNM2TLR8SOAT1HCAR3
SCHEMBL28468131 0.73
SCHEMBL23956969 0.72 SOAT1 (0.48) DNM2TLR8SOAT1HCAR3CYP4Z1
SCHEMBL13356938 0.71 TLR8 (0.47) TLR8SOAT1HCAR3LMNASMN1; SMN2

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
CN-107857738-A The synthesis and application of hexadecylamino pyrrolotriazine derivatives 贺州学院 2018-03-30 CN disclosed