SCHEMBL1921845

SCHEMBL1921845

CC(C)(C)OC(=O)Oc1ccc2c(CC3CC3)n(-c3ccncc3)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
CA2 P00918 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
SLC5A1 P13866 1/20 0.33
MAPK14 Q16539 3/20 0.33
KDM1A O60341 1/20 0.32
MAPK13 O15264 2/20 0.31
SLC2A1 P11166 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 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
SCHEMBL1921659 0.91 KCNJ6 (0.36) ELANECA2ACACBACACASLC5A1
SCHEMBL1921121 0.84 TLR8 (0.36) ACACBACACAMAPK14MAPK13SLC2A1
SCHEMBL1921690 0.83 ELANE (0.34) ELANECA2SLC5A1MAPK14MAPK13
SCHEMBL1920882 0.76 ELANE (0.37) ELANECA2SLC5A1MAPK14MAPK13
SCHEMBL1921407 0.75 KCNJ6 (0.39) ACACBACACA
SCHEMBL1921322 0.72 ALDH1A1 (0.39) MAPK14MAPK13
SCHEMBL1923158 0.67 CHEK1 (0.47)
SCHEMBL1922389 0.67 ABCG2 (0.41) MAPK14MAPK13
SCHEMBL1921349 0.63 CHEK1 (0.45)
SCHEMBL12533937 0.62 NPC1 (0.44) CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP claimed