SCHEMBL6929587

SCHEMBL6929587

CC=CC(Br)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HSPB1 P04792 3/20 0.45
TTR P02766 3/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 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
SCHEMBL6929014 0.89 HTT (0.41) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL6575768 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL6809251 0.77 PDK1 (0.58) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL29749825 0.77 PDK1 (0.58) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL29057897 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL9501627 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL9638881 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL27979838 0.73 TTR (0.45) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL11583868 0.72 XDH (0.49) MEN1KMT2AALDH1A1MAPTHSPB1
SCHEMBL20328412 0.72 TDP1 (0.66) MEN1KMT2AALDH1A1MAPTHSPB1

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
EP-1222237-A4 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ELSICON INC (US) 2003-01-15 EP disclosed
EP-1222237-A1 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS Elsicon, Inc. (US) 2002-07-17 EP disclosed
WO-2001030938-A1 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ELSICON, INC. (US) 2001-05-03 WO disclosed