SCHEMBL5026702

SCHEMBL5026702

CC(C)(C)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HTT P42858 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 8/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
HSD11B1 P28845 2/20 0.47
LMNA P02545 6/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GFER P55789 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 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
SCHEMBL397351 0.88 HSD17B10 (0.56) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3328543 0.84 MAPT (0.79) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4163474 0.84 MAPT (0.79) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2660487 0.82 NPBWR1 (0.54) MAPTMEN1KMT2AHTTSMN1; SMN2
Methoxymethane SCHEMBL27492761 0.82 ALDH1A1 (0.51) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8934649 0.82 MAPT (0.76) MAPTMEN1KMT2AHTTSMN1; SMN2
Fluoride SCHEMBL29135589 0.82 MAPT (0.76) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8934655 0.82 MAPT (0.76) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3029788 0.80 PDE7A (0.68) MAPTHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL2271509 0.79 TSHR (0.52) MAPTMEN1KMT2ASMN1; SMN2HPGD

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
US-20080070308-A1 Portous Article For Delivering Chemical Substances LIFECYCLE PHARMA A/S (DK) 2008-03-20 US disclosed
US-20080070308-A1 Portous Article For Delivering Chemical Substances LIFECYCLE PHARMA A/S (DK) 2008-03-20 US disclosed
US-20080070308-A1 Portous Article For Delivering Chemical Substances LIFECYCLE PHARMA A/S (DK) 2008-03-20 US disclosed