SCHEMBL9534065

SCHEMBL9534065

CC(O)c1nccn1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHRM1 P11229 1/20 0.31

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
SCHEMBL10346936 0.82 CYP2D6 (0.36) KMT2ACYP2D6TSHRCYP2C19HIF1A
SCHEMBL9531503 0.78 KMT2A (0.31) KMT2ACYP2D6
Nitric Acid SCHEMBL27774290 0.77 KDM4E (0.46) KMT2ACYP2D6TSHRCYP2C19HIF1A
Nitric Acid SCHEMBL28391259 0.72 CYP2C19 (0.38) KMT2ACYP2D6TSHRCYP2C19HIF1A
SCHEMBL63265 0.71
SCHEMBL23863190 0.69
SCHEMBL27867007 0.69
SCHEMBL1490968 0.69
SCHEMBL3607267 0.67
SCHEMBL7555585 0.67

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
EP-0325513-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-2-METHYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1993-04-07 EP disclosed
EP-0324692-B1 PROCESS FOR THE PREPARATION OF HYDROXYALKYLATING AGENTS, THE AGENTS AS PREPARED AND THEIR USE RHONE-POULENC SANTE (FR) 1992-11-25 EP disclosed
EP-0324691-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1991-12-27 EP disclosed
EP-0325513-A1 Process for the preparation of 1-hydroxyalkyl-2-methyl-5-nitro-imidazoles RHONE-POULENC SANTE (FR) 1989-07-26 EP disclosed
EP-0324692-A1 Process for the preparation of hydroxyalkylating agents, the agents as prepared and their use RHONE-POULENC SANTE (FR) 1989-07-19 EP disclosed
EP-0324691-A1 Process for the preparation of 1-hydroxyalkyl-5-nitro-imidazoles RHONE-POULENC SANTE (FR) 1989-07-19 EP disclosed