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SCHEMBL2650893

SCHEMBL2650893

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CN(C)C)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CN2CCNCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 12/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ACKR3 P25106 1/20 0.38

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
SCHEMBL6695257 0.95 OGA (0.47) OGAPOLBTP53GAACHRM3
SCHEMBL6696280 0.89 TP53 (0.49) TP53GAASMN1; SMN2HTT
SCHEMBL2650890 0.88 POLB (0.41) OGAPOLBTP53GAACHRM3
SCHEMBL1343417 0.87 SMN1; SMN2 (0.53) OGAPOLBTP53GAASMN1; SMN2
SCHEMBL2649375 0.86 OGA (0.48) OGAPOLBTP53GAASMN1; SMN2
SCHEMBL1343431 0.86 OGA (0.48) OGAPOLBTP53GAASMN1; SMN2
SCHEMBL6697295 0.86 OGA (0.49) OGAPOLBTP53GAASMN1; SMN2
SCHEMBL6697150 0.85 OGA (0.47) OGAPOLBTP53GAASMN1; SMN2
SCHEMBL6696934 0.84 OGA (0.46) OGAPOLBTP53GAASMN1; SMN2
SCHEMBL1342848 0.80 MAPK1 (0.45) TP53GAACHRM3SMN1; SMN2

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