SCHEMBL1746159

SCHEMBL1746159

Cc1cc2cn[nH]c2cc1[N+](=O)[O-].Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.32
MAPT P10636 2/20 0.32
NOS1 P29475 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HSF1 Q00613 1/20 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
SCHEMBL1464500 0.91 GLS (0.38) GLSMAPTLMNACYP3A4ALDH1A1
SCHEMBL1746128 0.85 GLS (0.34) GLSCYP3A4ALDH1A1
SCHEMBL31716743 0.76 GLS (0.42) GLSMAPTLMNACYP3A4MAOB
SCHEMBL1024276 0.74 NOS1 (0.53) MAPTNOS1LMNACYP3A4ALOX15
SCHEMBL16931512 0.73 GLS (0.61) GLSMAPTLMNAMAOBALDH1A1
SCHEMBL1746766 0.72 HTR2A (0.32)
SCHEMBL1463344 0.72 HTR2A (0.32)
SCHEMBL1744241 0.72 DUT (0.40) MAPTLMNAALDH1A1
SCHEMBL16899218 0.71 KMT2A (0.35) MAPTLMNACYP3A4POLBALDH1A1
SCHEMBL1026662 0.70 NOS1 (0.54) MAPTNOS1LMNACYP3A4ALOX15

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-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed