SCHEMBL1386628

SCHEMBL1386628

C[Si](C)(C)CCOCn1cc(-c2ccccc2)c(N)n1.C[Si](C)(C)CCOCn1cc(-c2ccccc2)c([N+](=O)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.36
MAPT P10636 5/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 3/20 0.32
THRB P10828 1/20 0.31
PSMD14 O00487 1/20 0.31
PRKACA P17612 1/20 0.31
CASP6 P55212 1/20 0.31
DGAT1 O75907 2/20 0.30
NFKB1 P19838 2/20 0.30
RAB9A P51151 2/20 0.30
NFKB2 Q00653 2/20 0.30
RELA Q04206 2/20 0.30
ALOX5AP P20292 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
SCHEMBL2579330 0.94 MEN1 (0.34) MEN1KMT2ASMN1; SMN2LMNAPKM
SCHEMBL2578209 0.88 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2LMNAPKM
SCHEMBL23165184 0.82 KEAP1 (0.38) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL29627176 0.82 KEAP1 (0.38) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL18131220 0.79 NPC1 (0.32) NPC1
SCHEMBL23164955 0.78 ERN1 (0.40) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL18131171 0.74 L3MBTL1 (0.32) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL20028437 0.74 NPC1 (0.37) SMN1; SMN2ALDH1A1MAPTMAPK1NPC1
SCHEMBL27145505 0.74 NPC1 (0.33) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23166852 0.74 RIPK1 (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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
JP-4833078-B2 2011-12-07 JP claimed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed