SCHEMBL4433871

SCHEMBL4433871

O=C(O)NC1CC(NC(=O)O)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 8/20 0.38
HTT P42858 4/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 4/20 0.37
TDP1 Q9NUW8 4/20 0.36
CHRM4 P08173 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL15913504 0.92 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL15873410 0.92 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13734129 0.92 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1710226 0.92 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11899431 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11898640 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL15873409 0.92 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11898639 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1710224 0.92 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL11899432 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHTT

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed