SCHEMBL8557837

SCHEMBL8557837

O=C1[N]c2c(cc(F)c([N+](=O)[O-])c2C(F)(F)F)NC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8114972 0.90 ABCC8 (0.33) ABCC8KCNJ11MEN1KMT2A
SCHEMBL8128461 0.87 ABCC8 (0.33) ABCC8KCNJ11MEN1KMT2A
SCHEMBL8557011 0.86
SCHEMBL3670098 0.82 ABCC8 (0.33) ABCC8KCNJ11MEN1KMT2A
SCHEMBL8123914 0.82 ABCC8 (0.33) ABCC8KCNJ11MEN1KMT2A
SCHEMBL8556823 0.81 GRIN2D (0.35) MEN1KMT2A
SCHEMBL8554470 0.81 GRIN2D (0.32) MEN1KMT2A
SCHEMBL8122116 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL8127539 0.81
SCHEMBL8124641 0.81 TSHR (0.32)

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-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