SCHEMBL5149706

SCHEMBL5149706

CC(C)(C)c1ccccn1.COCCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
BLM P54132 1/20 0.34
CYP2D6 P10635 1/20 0.34
AHR P35869 1/20 0.34
POLB P06746 1/20 0.34
PLCG1 P19174 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
USP8 P40818 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
Acetonitrile SCHEMBL2818707 0.78 SMN1; SMN2 (0.48) CHRM2SMN1; SMN2L3MBTL1SQORBLM
SCHEMBL29349628 0.76 SMN1; SMN2 (0.58) CHRM2SMN1; SMN2L3MBTL1BLMAHR
SCHEMBL29080 0.76 SMN1; SMN2 (0.58) CHRM2SMN1; SMN2L3MBTL1BLMAHR
SCHEMBL29798224 0.74 SMN1; SMN2 (0.56) CHRM2SMN1; SMN2L3MBTL1BLMAHR
SCHEMBL29016490 0.74 SMN1; SMN2 (0.56) CHRM2SMN1; SMN2L3MBTL1BLMAHR
Ammonia Solution, Strong SCHEMBL7412270 0.74 SMN1; SMN2 (0.56) CHRM2SMN1; SMN2L3MBTL1BLMAHR
Iodide SCHEMBL2177798 0.74 SMN1; SMN2 (0.56) CHRM2SMN1; SMN2L3MBTL1BLMAHR
SCHEMBL5149700 0.74 SMN1; SMN2 (0.38) CHRM2SMN1; SMN2L3MBTL1SQORBLM
SCHEMBL4263524 0.72 HRH1 (0.42) SMN1; SMN2L3MBTL1CYP2D6ALDH1A1LMNA
SCHEMBL28038463 0.69 SMN1; SMN2 (0.50) CHRM2SMN1; SMN2L3MBTL1BLMAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606845-B1 PHOTOVOLTAIC CELLS UTILIZING MESH ELECTRODES MERCK PATENT GMBH (DE) 2015-10-14 EP disclosed
US-20070251570-A1 Photovoltaic cells utilizing mesh electrodes KONARKA TECHNOLOGIES, INC. 2007-11-01 US disclosed
US-7022910-B2 Photovoltaic cells utilizing mesh electrodes KONARKA TECHNOLOGIES, INC. (US) 2006-04-04 US disclosed
US-20030230337-A1 Photovoltaic cells utilizing mesh electrodes MERCK KGAA (DE) 2003-12-18 US disclosed