SCHEMBL2782280

SCHEMBL2782280

O=C(O)c1cc(Br)cc2c(C3CCS(O)(O)C(c4ccccc4)C3)cn(C(=O)O)c12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL2782201 0.79 HRH2 (0.34) HRH2MEN1KMT2ARXFP1
SCHEMBL620741 0.78 IKBKB (0.44)
SCHEMBL621063 0.73 IKBKB (0.54)
SCHEMBL10211420 0.73 RORC (0.37)
SCHEMBL621703 0.70 HPGD (0.36) HRH2MEN1KMT2A
SCHEMBL2782266 0.69 BRD4 (0.41) HRH2
SCHEMBL2781288 0.68 OPRK1 (0.32) MEN1KMT2A
SCHEMBL2783700 0.67 IKBKB (0.33) MEN1KMT2ARXFP1
SCHEMBL2784293 0.66 LMNA (0.34) HRH2MEN1KMT2A
SCHEMBL2781291 0.66 OPRK1 (0.32) MEN1KMT2A

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