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SCHEMBL2650482

SCHEMBL2650482

O=C(c1cnccc1N(C(=O)Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)N(C(=O)Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)c1ccc(N2CCOCC2)cc1C(=O)C1CCCC1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 15/20 0.35
▸ NAMPT P43490 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BMPR1B O00238 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 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
SCHEMBL2650485 0.86 IDH1 (0.36) IDH1NAMPTALDH1A1NR1I2MAPT
SCHEMBL1341285 0.83 IDH1 (0.37) IDH1ALDH1A1NR1I2MAPTBMPR1B
SCHEMBL2649453 0.83 IDH1 (0.31) IDH1ALDH1A1MAPT
SCHEMBL2651630 0.78 GRM4 (0.33) —
SCHEMBL2649830 0.78 CHRNA4 (0.32) ALDH1A1MAPTBMPR1BBMPR1ATGFBR1
SCHEMBL1341913 0.75 CCNE1 (0.38) MAPT
SCHEMBL1342336 0.74 CCNE1 (0.38) MAPT
SCHEMBL1341426 0.73 AXL (0.39) IDH1ALDH1A1MAPTBMPR1BBMPR1A
SCHEMBL1341029 0.70 IDH1 (0.38) IDH1ALDH1A1NR1I2MAPT
SCHEMBL2649460 0.70 IDH1 (0.32) IDH1NAMPTALDH1A1MAPT

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