SCHEMBL23902834

SCHEMBL23902834

Nn1cnc([N+](=O)[O-])c1C([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 6/20 0.35
HTT P42858 5/20 0.35
LMNA P02545 3/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 2/20 0.32
GFER P55789 2/20 0.32
CYP2C9 P11712 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
SCHEMBL29101968 0.75 KDM4E (0.46) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL27606040 0.66 KDM4E (0.36) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL30819105 0.64 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL27849206 0.64 KDM4E (0.56) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL30819107 0.62 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL30819106 0.61 KDM4E (0.51) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL30819114 0.61 KDM4E (0.44) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL2871452 0.60 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL23902840 0.59 CYP3A4 (0.36) KDM4EMAPTLMNABLMKMT2A
Ammonia Solution, Strong SCHEMBL23902833 0.58 CYP3A4 (0.35) KDM4EMAPTLMNABLMKMT2A

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
EP-3562797-B1 NEW GENERATION PRIMARY EXPLOSIVE ATILIM UNIV (TR) 2021-10-13 EP claimed
EP-3562797-B1 NEW GENERATION PRIMARY EXPLOSIVE ATILIM UNIV (TR) 2021-10-13 EP disclosed