SCHEMBL4789329

SCHEMBL4789329

O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cc(F)c(F)cc2F)C1.O=[N+]([O-])C=Cc1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
VCP P55072 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
SCHEMBL4789328 1.00 MEN1 (0.36) MEN1KMT2APSMD14L3MBTL1MITF
SCHEMBL3750991 0.88 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3750998 0.88 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3750983 0.88 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL121200 0.72 VCP (0.49) MEN1KMT2APSMD14L3MBTL1MITF
SCHEMBL145009 0.72 VCP (0.49) MEN1KMT2APSMD14L3MBTL1MITF
SCHEMBL18579270 0.68 MEN1 (0.39) MEN1KMT2APSMD14L3MBTL1MITF
SCHEMBL18579272 0.68 MEN1 (0.39) MEN1KMT2APSMD14L3MBTL1MITF
SCHEMBL18590417 0.67 MEN1 (0.43) MEN1KMT2APSMD14L3MBTL1MITF
SCHEMBL19559419 0.67 MEN1 (0.38) MEN1KMT2APSMD14L3MBTL1MITF

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-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed