SCHEMBL20575

SCHEMBL20575

COC1(C)CCC(C(=O)CC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 2/20 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
SCHEMBL21867 0.82 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2ANPC1
SCHEMBL10253354 0.81 KMT2A (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL14035693 0.79
SCHEMBL29362499 0.79 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL22286973 0.79 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4440517 0.77 G6PD (0.31)
SCHEMBL752095 0.75
SCHEMBL20502028 0.75 KMT2A (0.36) MEN1ALDH1A1MAPTKMT2A
SCHEMBL10252604 0.74 ALDH1A1 (0.39) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4765661 0.74 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2A

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
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed