SCHEMBL11724718

SCHEMBL11724718

CC(=O)OCCn1c([N+](=O)[O-])cnc1C1=CSNN1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.51
▸ EGFR P00533 10/20 0.42
▸ ERBB2 P04626 10/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ GUSB P08236 1/20 0.41

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
SCHEMBL11725677 0.85 GLA (0.46) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL11727261 0.84 LMNA (0.53) GLAEGFRERBB2ALDH1A1KMT2A
SCHEMBL11726175 0.84 LMNA (0.41) GLAEGFRERBB2ALDH1A1KMT2A
SCHEMBL11726189 0.82 LMNA (0.41) GLAEGFRERBB2ALDH1A1MEN1
SCHEMBL11724706 0.78 GLA (0.51) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL11725247 0.78 LMNA (0.39) GLAALDH1A1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL11725208 0.77 LMNA (0.38) GLAALDH1A1KMT2ACA12CA1
SCHEMBL677158 0.76 GLA (0.78) GLAEGFRERBB2ALDH1A1MAPT
SCHEMBL11726033 0.74 ALDH1A1 (0.46) EGFRERBB2ALDH1A1MAPTMEN1
SCHEMBL11824972 0.73 EGFR (0.58) GLAEGFRERBB2ALDH1A1MAPT

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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