SCHEMBL5149700

SCHEMBL5149700

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SQOR Q9Y6N5 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AHR P35869 2/20 0.35
GAA P10253 1/20 0.35
CHRM2 P08172 1/20 0.35
PLCG1 P19174 1/20 0.35
BLM P54132 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PGR P06401 1/20 0.33
THRB P10828 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRK1 P41145 1/20 0.33
PMP22 Q01453 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC47A1 Q96FL8 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
Acetonitrile SCHEMBL2818707 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1SQORMEN1KMT2A
SCHEMBL29349628 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
SCHEMBL29080 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
SCHEMBL29798224 0.75 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
SCHEMBL29016490 0.75 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
Iodide SCHEMBL2177798 0.75 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
Ammonia Solution, Strong SCHEMBL7412270 0.75 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
SCHEMBL5149706 0.74 CHRM2 (0.40) SMN1; SMN2L3MBTL1SQORMEN1KMT2A
SCHEMBL28038463 0.74 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1MEN1KMT2AAHR
SCHEMBL4263523 0.71 HRH1 (0.42) SMN1; SMN2MEN1KMT2AGAAALOX15

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