SCHEMBL5818571

SCHEMBL5818571

Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c(N(N)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4301033 0.78 KMT2A (0.45) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6096675 0.75 BRD4 (0.41) MAPTCYP3A4KMT2A
SCHEMBL5793537 0.72 KMT2A (0.40) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5793540 0.72 KMT2A (0.40) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL12201463 0.71 SYK (0.38) LMNASMN1; SMN2MAPTMAPK1TDP1
SCHEMBL4307213 0.71 GAA (0.43) LMNASMN1; SMN2ALDH1A1AKT1KMT2A
SCHEMBL4296286 0.70 KMT2A (0.40) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL1654086 0.69 KDM4E (0.42) LMNASMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL14340741 0.68 LMNA (0.41) LMNASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5571713 0.68 KDM4E (0.41) LMNASMN1; SMN2ALDH1A1L3MBTL1KMT2A

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-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO disclosed