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Sugi Predict / Compounds / SCHEMBL2650485

SCHEMBL2650485

SCHEMBL2650485

O=C(Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccc(N2CCOCC2)cc1C(=O)C1CCCC1.O=C(Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccncc1C(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 12/20 0.36
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ NAMPT P43490 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.31
▸ TRPV1 Q8NER1 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
SCHEMBL1341285 0.95 IDH1 (0.37) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341913 0.88 CCNE1 (0.38) MAPT
SCHEMBL2650482 0.86 IDH1 (0.35) IDH1NAMPTALDH1A1NR1I2MAPT
SCHEMBL1341426 0.85 AXL (0.39) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL2649460 0.83 IDH1 (0.32) IDH1CHRNA4SLC6A3GHSRNAMPT
SCHEMBL1342336 0.83 CCNE1 (0.38) MAPT
SCHEMBL1341707 0.82 GHSR (0.36) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1341777 0.81 ALDH1A1 (0.40) IDH1CHRNA4SLC6A3GHSRALDH1A1
SCHEMBL1342422 0.81 CDK2 (0.34) MAPT
SCHEMBL1341029 0.81 IDH1 (0.38) IDH1CHRNA4SLC6A3GHSRALDH1A1

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