SCHEMBL28070486

SCHEMBL28070486

CC(C)(C)NC(=O)OC1CCCN(c2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
CTPS1 P17812 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL28070539 0.92 MAPT (0.45) MAPTHTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL28070620 0.90 MAPT (0.41) MAPTHTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL28070569 0.90 MAPT (0.41) MAPTHTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL27769919 0.81 KMT2A (0.46) MAPTHTTALDH1A1MAPK1LMNA
SCHEMBL16522582 0.80 CKS1B (0.46) MAPTHTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2691435 0.78 BTK (0.48) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL2691438 0.78 BTK (0.48) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL4437574 0.78 BTK (0.48) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL28070601 0.78 PIM2 (0.42) MAPTALDH1A1
SCHEMBL28070619 0.78 PIM2 (0.42) MAPTALDH1A1

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