SCHEMBL11724706

SCHEMBL11724706

CC(=O)OCCn1c([N+](=O)[O-])cnc1C1=CNN(N)S1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.51
▸ 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
▸ EGFR P00533 10/20 0.41
▸ ERBB2 P04626 10/20 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
SCHEMBL11725666 0.85 GLA (0.46) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11726166 0.84 LMNA (0.41) GLAALDH1A1KMT2AKDM4ECA12
SCHEMBL11724686 0.84 LMNA (0.53) GLAALDH1A1KMT2AKDM4ECA12
SCHEMBL11726184 0.81 LMNA (0.40) GLAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11724718 0.78 GLA (0.51) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11725235 0.78 LMNA (0.39) GLAALDH1A1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL11725202 0.77 LMNA (0.38) GLAALDH1A1KMT2ACA12CA1
SCHEMBL677158 0.76 GLA (0.78) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL11726022 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11824972 0.73 EGFR (0.58) GLAALDH1A1MAPTEGFRERBB2

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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