SCHEMBL5506438

SCHEMBL5506438

O=C1Cc2cc([N+](=O)[O-])c(C3CCC3)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PGR P06401 1/20 0.41
BCL6 P41182 1/20 0.38
BCOR Q6W2J9 1/20 0.38
TDP2 O95551 1/20 0.37
GRIA1 P42261 1/20 0.36
AHR P35869 4/20 0.36
CMA1 P23946 2/20 0.36
EIF2AK2 P19525 1/20 0.35
GAA P10253 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC18A3 Q16572 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL5498091 0.94 PGR (0.43) EPHX2PGRBCL6BCORTDP2
SCHEMBL5502648 0.78 EPHX2 (0.51) EPHX2GRIA1AHRCMA1EIF2AK2
SCHEMBL31726573 0.75 AHR (0.47) PGRBCL6BCORTDP2AHR
SCHEMBL8647059 0.75 AHR (0.47) PGRBCL6BCORTDP2AHR
SCHEMBL31727303 0.75 MAPT (0.49) PGRBCL6BCORTDP2GRIA1
SCHEMBL5502745 0.75 PGR (0.46) PGRTDP2GRIA1AHRCMA1
SCHEMBL31726677 0.75 PGR (0.46) PGRBCL6BCORTDP2AHR
SCHEMBL9832978 0.75 PGR (0.46) PGRTDP2GRIA1AHRCMA1
SCHEMBL4507222 0.75 MAPT (0.49) PGRBCL6BCORTDP2GRIA1
SCHEMBL5501521 0.74 PGR (0.40) EPHX2PGRBCL6BCORTDP2

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-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed