SCHEMBL2651273

SCHEMBL2651273

O=C(Nc1ncc(S(=O)(=O)c2ncc[nH]2)s1)Nc1ccc(C(F)(F)F)cc1C(=O)C1CCCC1.O=C(Nc1ncc(S(=O)(=O)c2ncc[nH]2)s1)Nc1ccc(F)cc1C(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.36
BRAF P15056 8/20 0.36
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
HCRTR1 O43613 2/20 0.34
FFAR2 O15552 1/20 0.34
P2RY1 P47900 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
SCHEMBL1342398 0.97 KDR (0.36) KDRBRAFSCN8ASCN10AFFAR2
SCHEMBL1342018 0.94 LMNA (0.34)
SCHEMBL2651271 0.87 SCN10A (0.33) SCN8ASCN10AHCRTR1FFAR2
SCHEMBL1340577 0.85 SMN1; SMN2 (0.36)
SCHEMBL1342141 0.85 SIRT4 (0.35) FFAR2
SCHEMBL1341268 0.84 CCNE1 (0.38)
SCHEMBL1341979 0.84 RXFP1 (0.33) KDRBRAFFFAR2
SCHEMBL1343229 0.84 MAPT (0.40)
SCHEMBL2650083 0.84 HCRTR1 (0.35) KDRBRAFHCRTR1FFAR2
SCHEMBL1340110 0.83 MAPT (0.33)

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed