SCHEMBL12697129

SCHEMBL12697129

C[C@H]1[C@H](C)CC(c2ccncc2[N+](=O)[O-])=C[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 1/20 0.32
BRS3 P32247 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NAMPT P43490 1/20 0.31
DRD2 P14416 1/20 0.31
LATS1 O95835 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
CCNC P24863 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
SCHEMBL4127006 0.91 BRS3 (0.33) KMT2AMEN1GAAHTTRAB9A
SCHEMBL15588770 0.91 BRS3 (0.33) KMT2AMEN1GAAHTTRAB9A
SCHEMBL9607182 0.91 BRS3 (0.33) KMT2AMEN1GAAHTTRAB9A
SCHEMBL15589037 0.91 BRS3 (0.33) KMT2AMEN1GAAHTTRAB9A
SCHEMBL1725546 0.91 BRS3 (0.33) KMT2AMEN1GAAHTTRAB9A
SCHEMBL15588834 0.89 GAA (0.35) KMT2AMEN1GAAHTTRAB9A
SCHEMBL15588715 0.89 GAA (0.35) KMT2AMEN1GAAHTTRAB9A
SCHEMBL4127520 0.88 GAA (0.32) KMT2AMEN1GAAHTT
SCHEMBL2839969 0.88 GAA (0.32) KMT2AMEN1GAAHTT
SCHEMBL15589272 0.88 GAA (0.32) KMT2AMEN1GAAHTTDRD2

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
WO-2012120428-A1 NOVEL KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 WO disclosed