SCHEMBL5035869

SCHEMBL5035869

Bc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.76
STS P08842 1/20 0.63

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
SCHEMBL8446302 0.93 CYP19A1 (0.86) CYP19A1STS
SCHEMBL13292783 0.86 CYP19A1 (0.77) CYP19A1
SCHEMBL8445354 0.86 CYP19A1 (1.00) CYP19A1STS
SCHEMBL12189187 0.86 CYP19A1 (0.76) CYP19A1STS
SCHEMBL3233064 0.86 CYP19A1 (1.00) CYP19A1
SCHEMBL8445337 0.86 CYP19A1 (0.76) CYP19A1STS
SCHEMBL544997 0.86 CYP19A1 (1.00) CYP19A1STS
SCHEMBL2702534 0.86 CYP19A1 (0.76) CYP19A1STS
SCHEMBL8446035 0.86 CYP19A1 (0.76) CYP19A1STS
SCHEMBL2700646 0.86 CYP19A1 (0.76) CYP19A1STS

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
EP-2450354-B1 LABELING COMPOUND FOR PET RIKEN (JP) 2016-08-17 EP disclosed
EP-2450354-A1 LABELING COMPOUND FOR PET Riken (JP) 2012-05-09 EP disclosed
WO-2011002096-A1 LABELING COMPOUND FOR PET 独立行政法人理化学研究所 (JP) 2011-01-06 WO disclosed