SCHEMBL5367724

SCHEMBL5367724

Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 8/20 0.59
GAA P10253 3/20 0.59
MAPT P10636 8/20 0.54
HTT P42858 4/20 0.54
LMNA P02545 4/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
CYP2C19 P33261 2/20 0.49
GFER P55789 2/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 2/20 0.47
NLRP1 Q9C000 1/20 0.47

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
SCHEMBL422634 0.79 KDM4E (0.63) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL10802825 0.79 KDM4E (0.48) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL3236045 0.78 KDM4E (1.00) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL2871452 0.78 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL18721830 0.78 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL9453945 0.78 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL2871450 0.78 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL3243436 0.78 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL30632281 0.78 KDM4E (0.56) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL29101968 0.77 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304164-B1 Melt-cast explosive material THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-12-04 US disclosed
EP-0293742-B1 PROCESS FOR THE PRODUCTION OF 4-NITRO-5-IMIDAZOLYLETHERS AND -THIOETHERS BASF Aktiengesellschaft (DE) 1992-07-22 EP disclosed
US-4900825-A REACTING DINITROIMIDAZOLES WITH ALCOHOLS OR MERCAPTANS BASF AKTIENGSELLSCHAFT (DE) 1990-02-13 US disclosed
EP-0348803-A1 Process for the preparation of 5-cyano-4-nitroimidazoles BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed
EP-0337255-A1 Process for the preparation of 4-nitro-5-aminoimidazoles BASF Aktiengesellschaft (DE) 1989-10-18 EP disclosed
EP-0293742-A1 Process for the production of 4-nitro-5-imidazolylethers and -thioethers BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed