SCHEMBL7080341

SCHEMBL7080341

COc1ccc(Nc2n[nH]c(Sc3cccs3)n2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GAA P10253 2/20 0.47
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL7085264 0.89 ADRA2A (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7084013 0.86 ALDH1A1 (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5385753 0.83 USP2 (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7083896 0.80 METAP2 (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL5376731 0.76 CYP2E1 (0.50) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL5385922 0.76 GAA (0.49) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5382003 0.75 METAP2 (0.52) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL5380314 0.74 GAA (0.47) MAPTNPC1RAB9AGAAMAPK1
SCHEMBL5380312 0.74 GAA (0.47) MAPTNPC1RAB9AGAAMAPK1
SCHEMBL5371861 0.74 CYP1A2 (0.54) MAPTKMT2ANPC1RAB9AALDH1A1

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