SCHEMBL28070620

SCHEMBL28070620

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.35
CTPS1 P17812 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 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
SCHEMBL28070569 1.00 MAPT (0.41) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL28070539 0.94 MAPT (0.45) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL28070486 0.90 MAPT (0.41) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL28070495 0.82 MEN1 (0.36) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL13719855 0.81 ACACB (0.37) MAPT
SCHEMBL13720109 0.81 ACACB (0.36) MAPT
SCHEMBL28070619 0.79 PIM2 (0.42) MAPTALDH1A1
SCHEMBL28070601 0.79 PIM2 (0.42) MAPTALDH1A1
SCHEMBL16522583 0.79 PIM1 (0.47) MAPT
SCHEMBL16522586 0.79 PIM1 (0.47) MAPT

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
CN-105658653-A Furo- and thieno-pyridine carboxamide compounds useful as PIM kinase inhibitors 因赛特公司 2016-06-08 CN disclosed