SCHEMBL4529406

SCHEMBL4529406

CN(C(=O)O)C1(N)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2713136 0.88
SCHEMBL28084072 0.74 TSHR (0.39) TSHRCYP2C19LMNAUSP2ALDH1A1
SCHEMBL30785992 0.73 FFAR3 (0.38) TSHRCYP2C19MEN1POLBKMT2A
SCHEMBL5592335 0.72 ASGR1 (0.30)
SCHEMBL8211731 0.72 LMNA (0.42) TSHRCYP2C19LMNAUSP2ALDH1A1
SCHEMBL2725107 0.72 TSHR (0.31) TSHRCYP2C19LMNAUSP2ALDH1A1
SCHEMBL304273 0.69 SLC6A2 (0.31) TSHRCYP2C19
SCHEMBL8083808 0.69 SLC6A2 (0.31) TSHRCYP2C19
SCHEMBL10789268 0.69 TSHR (0.31) TSHRCYP2C19
SCHEMBL28592530 0.69 FFAR3 (0.38) TSHRCYP2C19

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-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed
US-20090023852-A1 Fluorine-containing elastomer composition DAIKIN INDUSTRIES, LTD. 2009-01-22 US disclosed