SCHEMBL11043549

SCHEMBL11043549

O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
DNMT3B Q9UBC3 4/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4A O75164 1/20 0.43
TDP2 O95551 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42

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
SCHEMBL28594943 0.75 ALDH1A1 (0.54) CA2DNMT3BKMT2AMEN1MAPT
SCHEMBL11040785 0.75 CA2 (0.49) CA2KMT2AMEN1MAPTKDM4E
SCHEMBL11040615 0.75 CA2 (0.58) CA2KMT2AKDM4ETP53ALDH1A1
SCHEMBL11041002 0.75 CA2 (0.58) CA2DNMT3BKMT2AMEN1KDM4E
SCHEMBL11056275 0.75 CA2 (0.58) CA2KMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL11039231 0.73 CA2 (0.56) CA2MAPTKDM4EALDH1A1CACNA1F
SCHEMBL11039068 0.72 CA2 (0.54) CA2TDP2KDM4CMAPTKDM4E
SCHEMBL9096555 0.72 CA2 (0.46) CA2KMT2AMAPTKDM4EGAA
SCHEMBL11451918 0.71 GPR35 (0.50) DNMT3BKMT2AMEN1MAPTKDM4E
SCHEMBL11451916 0.71 GPR35 (0.50) DNMT3BKMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed