SCHEMBL11544979

SCHEMBL11544979

CC(c1ccc(O)cc1)n1ncc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SYK P43405 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MGLL Q99685 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
CYP2C9 P11712 1/20 0.30
RAB9A P51151 1/20 0.30
ESR1 P03372 1/20 0.30
PDCD1 Q15116 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL11544998 0.89 ALOX5 (0.36) LMNADPP4DPP8ALDH1A1NPSR1
SCHEMBL11549663 0.80 CA12 (0.45) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL11544869 0.78 ADRA1D (0.39) ALDH1A1NPSR1SYKMAPTGAA
SCHEMBL11547934 0.76 LMNA (0.34) LMNAALDH1A1KMT2AMAPTJAK2
SCHEMBL11546538 0.75 LMNA (0.33) LMNAALDH1A1KMT2AMAPTJAK2
SCHEMBL11545794 0.75 NEK2 (0.35) ALDH1A1KMT2AMAPTMEN1CYP2C9
SCHEMBL5202849 0.72 MAPT (0.41) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL11544982 0.70 TSHR (0.40) KMT2ARAB9ACYP19A1
SCHEMBL11543960 0.69 MAPT (0.38) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL25106757 0.68 KDM4E (0.43) LMNAALDH1A1KMT2AMAPT

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
US-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed