SCHEMBL12479215

SCHEMBL12479215

CC1(C)Oc2cc(I)ncc2C(=O)C1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL12478249 0.73 TGM2 (0.36)
SCHEMBL12478166 0.73 ALDH1A1 (0.51)
SCHEMBL12686308 0.70 TGM2 (0.40)
SCHEMBL12686425 0.67 S100A4 (0.42) BRD4
SCHEMBL12479266 0.67 S100A4 (0.42) BRD4
SCHEMBL12478483 0.64 KDM4E (0.32)
SCHEMBL12478389 0.63 S100A4 (0.42)
SCHEMBL12478951 0.61 PTGS2 (0.45)
SCHEMBL12479159 0.61 GRM5 (0.48)
SCHEMBL13742830 0.60 CA1 (0.44)

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
WO-2012110860-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-08-23 WO disclosed
WO-2012110860-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-08-23 WO disclosed