SCHEMBL6530799

SCHEMBL6530799

O=C1COc2cc([N+](=O)[O-])cc(F)c2N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MMP12 P39900 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
NR3C2 P08235 7/20 0.34
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
TERT O14746 1/20 0.33
PGR P06401 1/20 0.33
GAA P10253 1/20 0.33
TDP2 O95551 1/20 0.33
PARP1 P09874 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL16972790 0.82 ALDH1A1 (0.43) POLBMAPTMMP12ALDH1A1KMT2A
SCHEMBL4105175 0.78 NR3C2 (0.44) MMP12ALDH1A1KMT2ANR3C2PGR
SCHEMBL27434589 0.75 MMP12 (0.38) MAPTMMP12ALDH1A1KMT2ANR3C2
SCHEMBL27076356 0.75 MMP12 (0.38) MAPTMMP12ALDH1A1KMT2ANR3C2
SCHEMBL29961692 0.75 MMP12 (0.38) MAPTMMP12ALDH1A1KMT2ANR3C2
SCHEMBL1163368 0.74 TDP2 (0.51) MAPTALDH1A1KMT2APGRGAA
SCHEMBL30806805 0.73 POLB (0.51) POLBMAPTMMP12ALDH1A1KMT2A
SCHEMBL282326 0.73 POLB (0.51) POLBMAPTMMP12ALDH1A1KMT2A
SCHEMBL2675271 0.73 KIF11 (0.42) ALDH1A1KMT2APGRTDP2HIF1A
SCHEMBL17478775 0.71 TDP2 (0.38) MAPTALDH1A1KMT2APGRTDP2

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
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed