SCHEMBL8065368

SCHEMBL8065368

COC(=O)c1ncoc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.58
CDK2 P24941 4/20 0.46
TRPV1 Q8NER1 1/20 0.45
GAA P10253 1/20 0.44
FBP1 P09467 1/20 0.43
ADORA2A P29274 1/20 0.42
HCRTR2 O43614 1/20 0.42
IDO1 P14902 1/20 0.41
CFTR P13569 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 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
SCHEMBL472899 0.85 GSK3B (0.55) GSK3BCDK2GAAFBP1IDO1
SCHEMBL27905112 0.84 KDM4E (0.47) GSK3BCDK2GAAFBP1ADORA2A
SCHEMBL14564447 0.82 MEN1 (0.55) GSK3BCDK2GAAFBP1ADORA2A
SCHEMBL9722654 0.82 GSK3B (0.55) GSK3BCDK2GAAFBP1ADORA2A
SCHEMBL1167311 0.82 GSK3B (0.60) GSK3BTRPV1GAAFBP1ADORA2A
SCHEMBL8065609 0.82 LMNA (0.64) GSK3BGAALMNAKDM4EMEN1
SCHEMBL6372051 0.81 ADORA2A (0.60) GSK3BCDK2GAAFBP1ADORA2A
SCHEMBL8059585 0.81 GSK3B (0.58) GSK3BTRPV1GAAADORA2AKDM4E
SCHEMBL1931754 0.81 GAA (0.65) GSK3BCDK2GAAFBP1ADORA2A
SCHEMBL1969272 0.81 ADORA2A (0.64) GSK3BCDK2GAAFBP1ADORA2A

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
CN-1265643-A Anthranilic acid analogs AMERICAN HOME PROD (US) 2000-09-06 CN disclosed
US-6096770-A ADMINISTERING ORALLY OR PARENTALLY, TO A PATIENT AN ANTHRANILIC ACID DERIVATIVE FOR REDUCING THE ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-01 US disclosed
EP-1003713-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
WO-1999007670-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed