SCHEMBL6929014

SCHEMBL6929014

CC=CC(Br)Oc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
GPR35 Q9HC97 2/20 0.41
CYP19A1 P11511 4/20 0.39
TDP1 Q9NUW8 5/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
TTR P02766 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HSPB1 P04792 2/20 0.36
LMNA P02545 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
SCHEMBL6929587 0.89 MEN1 (0.45) HTTGPR35TDP1ALDH1A1MAPK1
SCHEMBL8977874 0.72 HTT (0.68) HTTGPR35CYP19A1TDP1ALDH1A1
SCHEMBL7296262 0.69 GPR35 (0.50) HTTGPR35TDP1ALDH1A1MAPK1
SCHEMBL6575768 0.69 ALDH1A1 (0.50) GPR35TDP1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5814264 0.69 TDP1 (0.55) HTTGPR35TDP1ALDH1A1MAPK1
SCHEMBL11058768 0.68 MAPT (0.58) HTTGPR35CYP19A1TDP1ALDH1A1
SCHEMBL10747235 0.67 RECQL (0.52) HTTGPR35TDP1ALDH1A1MAPK1
SCHEMBL619337 0.66 GPR35 (0.55) HTTGPR35TDP1ALDH1A1MAPK1
SCHEMBL30459424 0.66 GPR35 (0.55) HTTGPR35TDP1ALDH1A1MAPK1
SCHEMBL7296254 0.66 GPR35 (0.50) HTTGPR35TDP1ALDH1A1MAPK1

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 4 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
US-20010018099-A1 Materials for inducing alignment in liquid crystals and liquid crystal displays ELSICON, INC. 2001-08-30 US disclosed
WO-2001030938-A1 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ELSICON, INC. (US) 2001-05-03 WO disclosed