SCHEMBL5499443

SCHEMBL5499443

CC(C)Cc1cc2c(cc1N)CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.42
GRIA1 P42261 2/20 0.38
CACNG8 Q8WXS5 2/20 0.38
AHR P35869 4/20 0.38
CMA1 P23946 2/20 0.38
EIF2AK2 P19525 1/20 0.37
SMYD3 Q9H7B4 6/20 0.37
PDK2 Q15119 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CA9 Q16790 1/20 0.34
EPHX2 P34913 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC3 O15379 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
SCHEMBL5499457 0.84 AHR (0.42) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL5504321 0.80 GRIA1 (0.39) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL5504031 0.77 ALOX15 (0.41) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL5503888 0.77 AHR (0.39) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL188979 0.77 GRIA1 (0.37) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL4660496 0.76 AHR (0.41) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL2491904 0.76 AHR (0.50) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL5499322 0.76 EPHX2 (0.39) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL5503130 0.75 AR (0.40) GRIA1CACNG8AHRCMA1EIF2AK2
SCHEMBL2486755 0.74 GRIA1 (0.51) GRIA1CACNG8AHRCMA1EIF2AK2

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