SCHEMBL8451192

SCHEMBL8451192

BCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
AGTR1 P30556 7/20 0.62
AGTR2 P50052 6/20 0.62
GP6 Q9HCN6 1/20 0.58
CXCR4 P61073 1/20 0.54
PDE7A Q13946 2/20 0.52
PDE7B Q9NP56 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
MAPK8 P45983 1/20 0.52

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
SCHEMBL7348851 0.86 MEN1 (0.65) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
SCHEMBL8293198 0.84 TP53 (0.71) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
SCHEMBL30153550 0.81 MEN1 (0.80) MEN1ALDH1A1KMT2AL3MBTL1GP6
SCHEMBL8783081 0.81 MEN1 (0.80) MEN1ALDH1A1KMT2AL3MBTL1GP6
SCHEMBL13287249 0.81 MEN1 (0.57) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
Methylbiphenyl Tetrazole SCHEMBL8171721 0.79 MEN1 (0.69) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
SCHEMBL28668470 0.77 MEN1 (0.53) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
SCHEMBL6503277 0.77 MEN1 (0.53) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
SCHEMBL16700791 0.76 GP6 (0.58) MEN1ALDH1A1KMT2AL3MBTL1AGTR1
SCHEMBL7350821 0.75 MEN1 (0.62) MEN1ALDH1A1KMT2AL3MBTL1AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008122356-A1 CARDIOVASCULAR AGENTS CTG PHARMA S.R.L. (IT) 2008-10-16 WO disclosed
EP-1980559-A1 Cardiovascular agents CTG Pharma S.r.l. (IT) 2008-10-15 EP disclosed