SCHEMBL9876664

SCHEMBL9876664

CCO[Si](CCCN=Cc1ccccc1[N+](=O)[O-])(OCC)OCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
LMNA P02545 3/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 2/20 0.44
PTBP1 P26599 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL21117419 0.84 CA12 (0.46) CA12NPC1RAB9AKMT2AALDH1A1
SCHEMBL22013355 0.83 CA12 (0.80) CA12LMNANPC1RAB9AMEN1
SCHEMBL11966962 0.80 CA12 (0.74) CA12LMNANPC1RAB9AMEN1
SCHEMBL14163515 0.79 CA12 (0.84) CA12LMNANPC1RAB9AMEN1
SCHEMBL4896487 0.79 CA12 (0.84) CA12LMNANPC1RAB9AMEN1
SCHEMBL4896484 0.79 CA12 (0.84) CA12LMNANPC1RAB9AMEN1
SCHEMBL9876701 0.78 CA1 (0.50) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL31422588 0.78 CA12 (0.64) CA12LMNANPC1RAB9AMEN1
SCHEMBL9877569 0.77 PTGS2 (0.45) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL18797993 0.77 CYP19A1 (0.41) CA12LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427070-A2 Compositions of polyphenylenesulfides, glass fibers and nitrogroup containing silanes BAYER AG (DE) 1991-05-15 EP disclosed