SCHEMBL7367199

SCHEMBL7367199

O=C(O)OC1CCN(C2CCCC3C2OC(=O)N3C2CCN(c3ccnc(Nc4ccncc4)n3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
NFKB1 P19838 2/20 0.36
NR2C2 P49116 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
TAB1 Q15750 2/20 0.36
HRH3 Q9Y5N1 2/20 0.34
JAK2 O60674 11/20 0.34
JAK1 P23458 10/20 0.34
TYK2 P29597 10/20 0.34
ALK Q9UM73 2/20 0.34
FLT3 P36888 1/20 0.34
BPTF Q12830 1/20 0.33
IGF1R P08069 1/20 0.33
JAK3 P52333 1/20 0.33
OGA O60502 1/20 0.33

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
SCHEMBL7342864 0.95 PARP1 (0.40) PARP1NFKB1NR2C2NFKB2RELA
SCHEMBL7367195 0.90 PARP1 (0.38) PARP1NFKB1NR2C2NFKB2RELA
SCHEMBL7350177 0.87 HRH4 (0.43) HRH3
SCHEMBL7340536 0.85 OGA (0.45) HRH3ALKIGF1ROGA
SCHEMBL7344262 0.85 HRH3 (0.40) HRH3
SCHEMBL7342860 0.84 ALK (0.42) PARP1NFKB1NR2C2NFKB2RELA
SCHEMBL27513701 0.82 ALK (0.42) PARP1NFKB1NR2C2NFKB2RELA
SCHEMBL7376506 0.79 OGA (0.42) HRH3ALKIGF1ROGA
SCHEMBL7348379 0.78 OGA (0.43) HRH3ALKIGF1ROGA
SCHEMBL7344376 0.76 GPR119 (0.37) PARP1HRH3

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-0891359-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-01-20 EP disclosed
WO-1997036899-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1997-10-09 WO disclosed