SCHEMBL11458185

SCHEMBL11458185

CCC(=O)CC(=O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.54
HTT P42858 5/20 0.54
STING1 Q86WV6 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
GLA P06280 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11455980 0.89 LMNA (0.56) LMNAHTTSTING1CYP1A2CYP2C19
SCHEMBL11447908 0.88 STING1 (0.52) LMNAHTTSTING1CYP1A2CYP2C19
SCHEMBL11407300 0.84 LMNA (0.56) LMNAHTTSTING1CYP1A2CYP2C19
SCHEMBL13113103 0.81 LMNA (0.64) LMNAHTTSTING1GAANFKB1
SCHEMBL12261479 0.78 LMNA (0.53) LMNAHTTSTING1GAANFKB1
SCHEMBL11790220 0.77 LMNA (0.51) LMNAHTTSTING1GAANFKB1
Nifurmerone SCHEMBL398798 0.77 LMNA (0.51) LMNAHTTSTING1GAANFKB1
SCHEMBL13753324 0.76 LMNA (0.71) LMNAHTTSTING1GAANFKB1
SCHEMBL12217640 0.75 HPGD (0.50) HTTNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL6734715 0.74 MAPT (0.60) LMNAHTTCYP1A2CYP2C19GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224448-A FUNGICIDES, BACTERICIDES HABER RAPHAEL R G 1980-09-23 US disclosed
US-4087427-A BACTERICIDES, FUNGICIDES HABER RAPHAEL RALPH GEORGE 1978-05-02 US disclosed