SCHEMBL9537044

SCHEMBL9537044

CC(=O)C1([N+](=O)[O-])C=CC=CC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA4 P22459 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
FBP1 P09467 1/20 0.32
ALDH1A1 P00352 3/20 0.31
PDE1C Q14123 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 1/20 0.30
USP2 O75604 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
SCHEMBL526599 0.78 KCNA4 (0.38) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL16429623 0.73 MEN1 (0.35) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL4811637 0.73
SCHEMBL9539166 0.70 MEN1 (0.35) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL6903379 0.70 MEN1 (0.36) MEN1CYP2C19KMT2AKCNA4KCNA1
SCHEMBL505429 0.69 EDNRA (0.32) CYP2C19POLBL3MBTL1
SCHEMBL7313249 0.69 FBP1 (0.36) MEN1CYP2C19KMT2AFBP1ALDH1A1
SCHEMBL11799775 0.69
SCHEMBL5170532 0.68 POLB (0.35) MEN1KMT2APOLBUSP2
SCHEMBL6708456 0.68 ALDH1A1 (0.33) MEN1CYP2C19KMT2AALDH1A1LMNA

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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed