SCHEMBL3412423

SCHEMBL3412423

O=C(O)N(c1ccncc1[N+](=O)[O-])[C@@H]1CNC[C@@H](F)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3414879 1.00 MEN1 (0.34) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL1710250 0.87 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL3415256 0.86 MEN1 (0.32) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL1710475 0.86 KMT2A (0.32) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL3412104 0.84 JAK2 (0.33) MEN1KMT2AALDH1A1
SCHEMBL1710274 0.84 GAA (0.33) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL3414887 0.81 KDM4E (0.39) MEN1KMT2AALDH1A1
SCHEMBL3410717 0.81 KDM4E (0.39) MEN1KMT2AALDH1A1
SCHEMBL3410722 0.81 KDM4E (0.39) MEN1KMT2AALDH1A1
SCHEMBL3408546 0.81 MEN1 (0.39) 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-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed