SCHEMBL1990739

SCHEMBL1990739

C=C1C(=O)N(c2ccc[nH]2)c2ccc(C)c(C)c21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL30267 0.72 CES1 (0.38)
SCHEMBL2865639 0.61 KMT2A (0.42)
SCHEMBL3910501 0.61 GAA (0.50) TDP2NSD2HSP90AA1PAX8
SCHEMBL7135216 0.60 TLR9 (0.44) HSP90AA1
SCHEMBL1232851 0.59 L3MBTL1 (0.37)
SCHEMBL7078045 0.59 PDE6D (0.52)
SCHEMBL29732538 0.57 POLB (0.43)
SCHEMBL2152999 0.57 MGLL (0.32)
SCHEMBL25327968 0.57 TDP2 (0.47) TDP2NSD2HSP90AA1PAX8
SCHEMBL3070295 0.55 HPGD (0.57)

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-2011075383-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed