SCHEMBL4721428

SCHEMBL4721428

CCNc1cc(-c2cccc(OC)c2)nn(-c2cc(-c3ccc(=O)[nH]c3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 1/20 0.35
MAPT P10636 5/20 0.35
ALPG P10696 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ABCB1 P08183 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL4721516 0.88 ABCB1 (0.41) NPSR1MEN1KMT2AMAPTNPC1
SCHEMBL4720272 0.87 ERN1 (0.40) SMN1; SMN2KDM4ENPSR1MEN1KMT2A
SCHEMBL4723825 0.87 NPSR1 (0.36) SMN1; SMN2KDM4ENPSR1MEN1KMT2A
SCHEMBL4722409 0.81 MAPT (0.53) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL4722929 0.80 ALDH1A1 (0.44) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL4721126 0.76 NPC1 (0.44) SMN1; SMN2KDM4EMEN1KMT2ASLC2A1
SCHEMBL4722411 0.74 MAPT (0.38) SMN1; SMN2KDM4ENPSR1MAPTTDP1
Hydrochloric Acid SCHEMBL4719619 0.72 MAPT (0.54) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL4719536 0.71 MAPT (0.51) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL4720212 0.71 MAPT (0.46) SMN1; SMN2KDM4ENPSR1MAPTALPG

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed