SCHEMBL5152970

SCHEMBL5152970

CCNC(C(C)C)[Si](OC)(OC)OC.CCO[Si](CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 6/20 0.48
POLB P06746 3/20 0.40
PKM P14618 3/20 0.40
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
KAT2B Q92831 3/20 0.37
HCAR3 P49019 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.36
PTGER4 P35408 1/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL29351451 0.86 MAPT (0.63) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL303646 0.86 MAPT (0.63) MAPTKDM4EALDH1A1POLBPKM
Ethylamine SCHEMBL5152975 0.82 MAPT (0.50) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL5152983 0.81 MAPT (0.48) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL2717484 0.74 MAPT (0.58) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL29606242 0.73 MAPT (0.52) MAPTKDM4EALDH1A1POLBMAPK1
SCHEMBL14196716 0.71 MAPT (0.59) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL12486687 0.71 CRHBP (0.52) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL31045644 0.71 CRHBP (0.52) MAPTKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL14294847 0.70 MAPT (0.69) MAPTKDM4EALDH1A1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744866-A2 METHOD FOR SELECTING FORMULATIONS TO TREAT ELECTRICAL CABLES Novinium, Inc. (US) 2007-01-24 EP disclosed
WO-2005084322-A2 METHOD FOR SELECTING FORMULATIONS TO TREAT ELECTRICAL CABLES NOVINIUM, INC. (US) 2005-09-15 WO disclosed