SCHEMBL8555872

SCHEMBL8555872

O=C1[N]c2c(cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.36
VEGFA P15692 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KIF11 P52732 5/20 0.32
ARNT P27540 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL8554603 0.90 TSHR (0.34) EPAS1VEGFATSHRALDH1A1CYP3A4
SCHEMBL8124575 0.88 ABCC8 (0.33) TSHRCYP3A4ABCC8KCNJ11GRIN2D
SCHEMBL3675510 0.88 ABCC8 (0.34) TSHRALDH1A1CYP3A4ABCC8KCNJ11
SCHEMBL8123914 0.86 ABCC8 (0.33) TSHRCYP3A4ABCC8KCNJ11NFKB1
SCHEMBL8121012 0.86 ABCC8 (0.33) TSHRCYP3A4ABCC8KCNJ11NFKB1
SCHEMBL8123238 0.85 ABCC8 (0.32) ABCC8KCNJ11
SCHEMBL8128461 0.83 ABCC8 (0.33) TSHRCYP3A4ABCC8KCNJ11NFKB1
SCHEMBL8113964 0.83 GRIN2D (0.38) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5274587 0.82 TSHR (0.47) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8124641 0.82 TSHR (0.32) TSHRALDH1A1CYP3A4HPGDALOX15

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-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP claimed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP claimed
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed