SCHEMBL11728516

SCHEMBL11728516

Cn1c([N+](=O)[O-])cnc1C1=CNN(Cl)S1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CA12 O43570 4/20 0.32
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11725235 0.84 LMNA (0.39) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11725440 0.83 LMNA (0.36) LMNAALDH1A1MAPK1THRBTSHR
Hydrochloric Acid SCHEMBL11725202 0.83 LMNA (0.38) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11725469 0.82 LMNA (0.35) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11731879 0.80 LMNA (0.36) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11732198 0.79 LMNA (0.33) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11730567 0.79 LMNA (0.33) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11728674 0.78 LMNA (0.40) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11726695 0.78 ALDH1A1 (0.38) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11723698 0.78 CYP2C19 (0.36) 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 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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