SCHEMBL7092984

SCHEMBL7092984

O=C(N[C@@H]1CCOC1=O)c1ccc(Nc2nn(-c3ccccn3)c(=O)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.40
KIT P10721 2/20 0.40
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR52 Q9Y2T5 2/20 0.35

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
Hydrochloric Acid SCHEMBL6805667 0.99 FLT3 (0.39) FLT3KITMEN1LMNAKMT2A
SCHEMBL6801089 0.87 KHK (0.39)
SCHEMBL7089406 0.84 ALDH1A1 (0.51) MEN1LMNAKMT2AHSD17B10
Hydrochloric Acid SCHEMBL6811362 0.83 CRACR2A (0.39)
SCHEMBL6805271 0.81 BDKRB1 (0.38) LMNA
SCHEMBL7135489 0.81 HDAC1 (0.40)
SCHEMBL6801682 0.81 HDAC1 (0.40)
SCHEMBL7137097 0.80 KHK (0.44) LMNAKMT2A
SCHEMBL6805857 0.80 KHK (0.44) LMNAKMT2A
SCHEMBL6801047 0.79 L3MBTL1 (0.41) MEN1KMT2A

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-1324998-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-07-09 EP disclosed
WO-2002030923-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-04-18 WO disclosed