SCHEMBL11726175

SCHEMBL11726175

CCCn1c([N+](=O)[O-])cnc1C1=CSNN1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 4/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32

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
SCHEMBL11726189 0.91 LMNA (0.41) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11727261 0.88 LMNA (0.53) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11724718 0.84 GLA (0.51) ALDH1A1CA1CA2CA9CA12
SCHEMBL11725247 0.84 LMNA (0.39) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL11725208 0.83 LMNA (0.38) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11726033 0.81 ALDH1A1 (0.46) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11728995 0.75 LMNA (0.39) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11726166 0.74 LMNA (0.41) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11727803 0.72 ALDH1A1 (0.44) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL681530 0.72 LMNA (0.73) LMNAALDH1A1MAPK1THRBTSHR

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