SCHEMBL2565065

SCHEMBL2565065

CC(C)N(c1ccccc1C#N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.34
RORC P51449 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL148781 0.76 ALDH1A1 (0.55) TSHRALDH1A1HTTL3MBTL1GAA
SCHEMBL29827525 0.75 TSHR (0.48) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL2565156 0.75 SLC6A2 (0.43) TSHRALDH1A1HTTL3MBTL1GAA
Iodide SCHEMBL31276096 0.74 ALDH1A1 (0.53) TSHRALDH1A1HTTL3MBTL1GAA
SCHEMBL28826051 0.73 L3MBTL1 (0.41) TSHRALDH1A1HTTL3MBTL1LMNA
SCHEMBL17258696 0.72 ALDH1A1 (0.49) TSHRALDH1A1HTTLMNAGAA
SCHEMBL10734600 0.71 TSHR (0.44) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL26509842 0.71 TSHR (0.44) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL154465 0.71 TSHR (0.45) TSHRALDH1A1HTTGAAKDM4E
SCHEMBL2560142 0.71 TSHR (0.45) TSHRALDH1A1HTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed