SCHEMBL1744945

SCHEMBL1744945

Cc1cc2ccn(CCO[Si](C)(C)C(C)(C)C)c2cc1N.Cc1cc2ccn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
PKM P14618 1/20 0.32
DGAT1 O75907 2/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL1744241 0.94 DUT (0.40) DUTSMN1; SMN2LMNAALDH1A1PKM
SCHEMBL1744651 0.89 DUT (0.41) DUTDGAT1HTR7
SCHEMBL1746128 0.82 GLS (0.34) GAAALDH1A1CYP3A4TSHRRECQL
SCHEMBL4511606 0.77 HTR7 (0.51) DUTHTR7
SCHEMBL1464500 0.75 GLS (0.38) DUTSMN1; SMN2LMNAGAAALDH1A1
SCHEMBL3997142 0.73 PRKCI (0.45) DUTDGAT1HTR7
SCHEMBL4001230 0.73 DUT (0.45) DUTDGAT1HTR7
SCHEMBL31487744 0.73 DUT (0.41) DUTLMNAALDH1A1DGAT1
SCHEMBL9091990 0.71 HTR2A (0.48) DUTCYP3A4HTR7
SCHEMBL30814634 0.71 DUT (0.47) DUT

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