SCHEMBL13616450

SCHEMBL13616450

Bc1cc(C#N)cc(OBr)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.34
ALB P02768 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL13825463 0.71 SIGMAR1 (0.47)
SCHEMBL16803092 0.67 CYP11B1 (0.33)
SCHEMBL19446728 0.67 TTR (0.33) TTRALBMEN1KMT2A
SCHEMBL7873304 0.67 GRM5 (0.38)
SCHEMBL28775027 0.66 CA2 (0.48) MEN1KMT2A
SCHEMBL202404 0.62 ALDH1A1 (0.61) TTRALB
SCHEMBL25881784 0.62 SLC6A2 (0.49)
SCHEMBL1069352 0.62 TTR (0.38) TTRALBMEN1KMT2A
SCHEMBL3192191 0.62 VCAM1 (0.35) TTRALBMEN1KMT2A
SCHEMBL60145 0.61 TTR (0.50) TTRALBMEN1KMT2A

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-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed