SCHEMBL7083129

SCHEMBL7083129

c1ccc(Nc2n[nH]c(Sc3ccco3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
GFER P55789 1/20 0.49
KCNH3 Q9ULD8 3/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 2/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MAPK1 P28482 3/20 0.40
CDK2 P24941 2/20 0.40
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 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
SCHEMBL7089030 0.88 KCNH3 (0.46) GAAKCNH3MAPTMEN1KMT2A
SCHEMBL7084268 0.88 MAPT (0.46) GAAGFERMAPTMEN1KMT2A
SCHEMBL7087516 0.84 NFKB1 (0.44) KCNH3MAPTMEN1KMT2ANFKB1
SCHEMBL5385804 0.79 KCNH3 (0.52) GAAGFERKCNH3MAPTMEN1
SCHEMBL5381662 0.79 GAA (0.57) GAAGFERKCNH3MAPTMEN1
SCHEMBL7087949 0.78 EGFR (0.48) GAAMAPTKMT2ANPC1RAB9A
SCHEMBL7087546 0.78 GAA (0.47) GAAGFERKCNH3MAPTMEN1
SCHEMBL7088181 0.73 GAA (0.48) GAAGFERKCNH3MAPTMEN1
SCHEMBL5387245 0.71 AURKA (0.50) GAAGFERNPC1RAB9ASMN1; SMN2
SCHEMBL5381679 0.71 GAA (0.46) GAAGFERKCNH3MAPTMEN1

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-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO disclosed