SCHEMBL11725666

SCHEMBL11725666

CC(=O)NN1NC=C(c2ncc([N+](=O)[O-])n2CCOC(C)=O)S1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ EGFR P00533 12/20 0.39
▸ ERBB2 P04626 12/20 0.39
▸ GUSB P08236 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11724706 0.85 GLA (0.51) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11726926 0.82 LMNA (0.37) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11725677 0.77 GLA (0.46) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL677158 0.74 GLA (0.78) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11724718 0.71 GLA (0.51) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11824972 0.71 EGFR (0.58) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL11726129 0.71 LMNA (0.34) GLAALDH1A1EGFRERBB2
SCHEMBL11728674 0.70 LMNA (0.40) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11613846 0.70 GLA (0.56) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11731879 0.69 LMNA (0.36) GLAALDH1A1

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-4065567-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1977-12-27 — — US disclosed
US-3991200-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1976-11-09 — — US disclosed
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