SCHEMBL2784293

SCHEMBL2784293

CCOC(=O)c1cc(Br)cc2c(C3CCCS(O)(O)CC3)cn(C(=O)O)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
OPRK1 P41145 7/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH2 P25021 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRB2 P47870 1/20 0.31
ELANE P08246 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ATM Q13315 2/20 0.30
CSNK1D P48730 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
SCHEMBL2784294 0.91 LMNA (0.34) LMNAOPRK1ALDH1A1SMN1; SMN2HRH2
SCHEMBL2781288 0.90 OPRK1 (0.32) OPRK1MAPTKDM4EMEN1KMT2A
SCHEMBL620358 0.89 HPGD (0.36) LMNAOPRK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL622270 0.84 HPGD (0.38) LMNAOPRK1ALDH1A1SMN1; SMN2GABRA1
SCHEMBL2781796 0.84 LMNA (0.37) LMNAOPRK1ALDH1A1SMN1; SMN2HRH2
SCHEMBL2778625 0.84 LMNA (0.37) LMNAOPRK1ALDH1A1SMN1; SMN2HRH2
SCHEMBL2784968 0.82 IKBKB (0.37) LMNAOPRK1ALDH1A1SMN1; SMN2GABRA1
SCHEMBL2785428 0.81 LMNA (0.36) LMNAOPRK1ALDH1A1SMN1; SMN2HRH2
SCHEMBL2781073 0.80 LMNA (0.32) LMNAOPRK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2781291 0.80 OPRK1 (0.32) OPRK1MAPTKDM4EMEN1KMT2A

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-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 WO disclosed