SCHEMBL8835357

SCHEMBL8835357

CCCCCN(N)n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.41
TLR8 Q9NR97 2/20 0.32
DNM1 Q05193 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL11228644 0.81 NOS1 (0.39) NOS1TLR8DNM1TBXAS1
SCHEMBL5614512 0.76 NOS1 (0.42) NOS1TLR8
SCHEMBL14059429 0.71 NOS1 (0.34) NOS1
SCHEMBL3920608 0.66 NOS1 (0.39) NOS1
SCHEMBL45207 0.65 TLR8 (0.44) NOS1TLR8TBXAS1
Methylamine SCHEMBL27939089 0.64 TLR8 (0.48) NOS1TLR8TBXAS1
SCHEMBL8511793 0.64 NOS1 (0.38) NOS1
SCHEMBL11440961 0.63 TBXAS1 (0.47) NOS1TLR8TBXAS1
SCHEMBL6114640 0.63 TBXAS1 (0.47) NOS1TLR8TBXAS1
SCHEMBL6114991 0.63 TBXAS1 (0.47) NOS1TLR8TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9316078-A None JP disclosed
JP-H09316078-A PRODUCTION OF ACYLHYDRAZINOPYRAZOLE DERIVATIVE AND PYRAZOLE (5,1-C)-1,2,4-TRIAZOLE COMPOUND EASTMAN KODAK CO 1997-12-09 JP disclosed
EP-0212353-A2 1-Aryl-5-hydrazino-pyrazoles BAYER AG (DE) 1987-03-04 EP disclosed