SCHEMBL11546972

SCHEMBL11546972

CC(Cl)C(=O)OCCn1ncc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 6/20 0.32
ERBB2 P04626 6/20 0.32
GUSB P08236 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CDC20 Q12834 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL11573906 0.80 LMNA (0.38) GLALMNAMAPTKDM4EMEN1
SCHEMBL11545754 0.78 TSHR (0.35) GLALMNATSHRMAPTKDM4E
SCHEMBL11549665 0.77 MEN1 (0.43) LMNATSHRMAPTKDM4EMEN1
SCHEMBL11546970 0.76 LMNA (0.36) GLALMNAMAPTKMT2A
SCHEMBL11472451 0.74 GLA (0.36) GLALMNAMAPTKDM4EMEN1
SCHEMBL11545682 0.74 TSHR (0.36) GLALMNATSHRMAPTKDM4E
SCHEMBL11545925 0.73 PAX8 (0.44) GLALMNATSHRMAPTKDM4E
SCHEMBL5202849 0.72 MAPT (0.41) GLALMNAMAPTKDM4EMEN1
SCHEMBL11544982 0.70 TSHR (0.40) TSHRPKMKMT2ANPC1
SCHEMBL11545003 0.69 TSHR (0.40) TSHRMAPTKDM4EMEN1ALDH1A1

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