SCHEMBL256733

SCHEMBL256733

Bc1ccc2c(c1)COC2=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.61
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
PRF1 P14222 9/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL24102359 0.84 MAOA (0.55) MAPTLMNAGAAMAOAMAOB
SCHEMBL14726085 0.81 MAPT (0.41) MAPTLMNAGAAMAOAMAOB
SCHEMBL30372059 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL87174 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL29580985 0.76 LMNA (1.00) MAPTLMNAGAAMAOAMAOB
SCHEMBL855289 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL31621082 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL365201 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL4170867 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB
SCHEMBL29492902 0.76 MAPT (0.61) MAPTLMNAGAAMAOAMAOB

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-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed