SCHEMBL3263204

SCHEMBL3263204

CC(C)(C)[Si](C)(C)O[C@@H]1CC(NC(=O)O)CN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 3/20 0.31
POLB P06746 2/20 0.31
CHRM4 P08173 1/20 0.31
GAA P10253 1/20 0.30
MMP2 P08253 3/20 0.30
ANPEP P15144 3/20 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
SCHEMBL14972648 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3228669 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4435520 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3228679 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL14972645 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3263210 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4435515 1.00 MAPT (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4126378 0.91 EIF2AK4 (0.34) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2281170 0.88 MAPT (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3262271 0.88 MAPT (0.39) MAPTALDH1A1KMT2AMEN1LMNA

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-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed