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SCHEMBL2651271

SCHEMBL2651271

O=C(c1cc(F)ccc1N(C(=O)Nc1ncc(S(=O)(=O)c2ncc[nH]2)s1)N(C(=O)Nc1ncc(S(=O)(=O)c2ncc[nH]2)s1)c1ccc(C(F)(F)F)cc1C(=O)C1CCCC1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.33
▸ SCN8A Q9UQD0 3/20 0.33
▸ HCRTR1 O43613 4/20 0.32
▸ FFAR2 O15552 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ HCRTR2 O43614 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL2651273 0.87 KDR (0.36) SCN10ASCN8AHCRTR1FFAR2
SCHEMBL2650082 0.84 ITK (0.33) SCN10ASCN8AHCRTR1FFAR2ALDH1A1
SCHEMBL1342398 0.83 KDR (0.36) SCN10ASCN8AFFAR2ALDH1A1CSNK1D
SCHEMBL1342018 0.80 LMNA (0.34) —
SCHEMBL1341268 0.73 CCNE1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL1342328 0.72 CCNE1 (0.39) ALDH1A1
SCHEMBL1340225 0.72 CCNE1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL1342333 0.72 CCNE1 (0.39) ALDH1A1
SCHEMBL1340577 0.71 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL1342141 0.71 SIRT4 (0.35) FFAR2MEN1KMT2A

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