SCHEMBL9469435

SCHEMBL9469435

C=C(C)C(=O)OCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
GLA P06280 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 13/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MPI P34949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6200108 0.86 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2MAPTKDM4E
SCHEMBL9119583 0.86 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2MAPTKDM4E
SCHEMBL9120622 0.84 ALDH1A1 (0.51) ALDH1A1GLASMN1; SMN2MAPTKDM4E
SCHEMBL9650805 0.84 ALDH1A1 (0.51) ALDH1A1GLASMN1; SMN2MAPTKDM4E
SCHEMBL14264211 0.82 MAPT (0.44) ALDH1A1GLASMN1; SMN2MAPTHTT
SCHEMBL13482697 0.81 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL2183066 0.81 MAPT (0.58) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL2557575 0.80 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2MAPTHTTMEN1
SCHEMBL305728 0.80 POLB (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL13941286 0.79 ALDH1A1 (0.53) ALDH1A1GLASMN1; SMN2MAPTKDM4E

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
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed