SCHEMBL3167372

SCHEMBL3167372

O=C(CCn1cccc1)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.43
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TTR P02766 3/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL27768435 0.80 BCL9 (0.62) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3173626 0.80 F2 (0.49) ALDH1A1MAPTMEN1KMT2ABCL9
SCHEMBL17323481 0.79 ALDH1A1 (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL20591957 0.78 MAPT (0.49) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6120526 0.77 ALDH1A1 (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL468371 0.77 ALDH1A1 (0.51) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28043702 0.77 HSPB1 (0.51) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10071375 0.77 TTR (0.50) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11228939 0.77 ALDH1A1 (0.48) HSPB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27988647 0.77 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ATTRTDP1

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-1438983-B2 Modified electrodes and their manufacture CHAMELEON BIOSURFACES LTD (GB) 2010-03-03 EP disclosed
EP-1438983-B1 Modified electrodes and their manufacture PLANT BIOSCIENCE LTD (GB) 2006-05-03 EP disclosed