SCHEMBL5505582

SCHEMBL5505582

Nc1cc2c(c(F)c1C1CC1)NC(=O)C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
AHR P35869 1/20 0.32
TDP2 O95551 1/20 0.31
HDAC3 O15379 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
GRIA1 P42261 1/20 0.30
CACNG8 Q8WXS5 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
SCHEMBL5503483 0.77 TDP2 (0.36) EPHX2TDP2
SCHEMBL5504614 0.76 HDAC3 (0.35) AHRTDP2HDAC3GRIA1CACNG8
SCHEMBL5507259 0.75 GRIN1 (0.31)
SCHEMBL5498389 0.73 DRD2 (0.33) AHRTDP2HDAC3SMYD3GRIA1
SCHEMBL5502292 0.73 AHR (0.32) AHRTDP2HDAC3SMYD3GRIA1
SCHEMBL5501936 0.73 AHR (0.32) AHRTDP2HDAC3GRIA1CACNG8
SCHEMBL5502598 0.71 AHR (0.30) AHRTDP2HDAC3
SCHEMBL151642 0.70 HDAC3 (0.40) AHRTDP2HDAC3GRIA1CACNG8
SCHEMBL5505557 0.68 EPHX2 (0.46) EPHX2AHRSMYD3GRIA1CACNG8
SCHEMBL1163094 0.67 GRIA1 (0.41) AHRTDP2HDAC3GRIA1CACNG8

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-1869030-A1 7-FLUORO-1,3-DIHYDRO-INDOL-2-ONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006106427-A1 7-FLUORO-1,3-DIHYDRO-INDOL-2-ONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-12 WO disclosed