SCHEMBL28070539

SCHEMBL28070539

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
S100A4 P26447 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NTMT1 Q9BV86 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL28070620 0.94 MAPT (0.41) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28070569 0.94 MAPT (0.41) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28070486 0.92 MAPT (0.41) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28070619 0.86 PIM2 (0.42) MAPTALDH1A1GAANTMT1
SCHEMBL28070601 0.86 PIM2 (0.42) MAPTALDH1A1GAANTMT1
SCHEMBL13719960 0.83 SMN1; SMN2 (0.36) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13719545 0.82 SMN1; SMN2 (0.36) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13719661 0.81 SMN1; SMN2 (0.35) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4565720 0.81 ALDH1A1 (0.42) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4433633 0.81 ALDH1A1 (0.42) MAPTALDH1A1LMNAHTTSMN1; SMN2

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