SCHEMBL9877569

SCHEMBL9877569

CCO[Si](CCCN=Cc1ccc([N+](=O)[O-])cc1)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
AMY1A P0DUB6 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALPG P10696 1/20 0.41
PTPN1 P18031 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40

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
SCHEMBL22317361 0.86 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5682361 0.86 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9876701 0.85 CA1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23809559 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL29038225 0.82 MAPT (0.54) PTGS2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13322143 0.80 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17084277 0.79 ALDH1A1 (0.59) PTGS2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3143173 0.79 ALDH1A1 (0.59) PTGS2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL22070123 0.79 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL29331693 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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