SCHEMBL2651530

SCHEMBL2651530

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1nc(CN2CCNCC2)cs1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
CHRM3 P20309 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL1342678 0.96 ALDH1A1 (0.43) MAPK1ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL1342848 0.93 MAPK1 (0.45) MAPK1ALDH1A1SMN1; SMN2TP53GAA
SCHEMBL2651526 0.88 ALDH1A1 (0.34) MAPK1ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL1344232 0.84 ALDH1A1 (0.47) MAPK1ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL6696934 0.81 OGA (0.46) MAPK1ALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL1344133 0.80 MAPK1 (0.48) MAPK1ALDH1A1SMN1; SMN2TP53GAA
SCHEMBL6695257 0.78 OGA (0.47) SMN1; SMN2TP53GAACHRM3POLB
SCHEMBL1344223 0.78 TSHR (0.40)
SCHEMBL1341969 0.78 L3MBTL1 (0.51) MAPK1ALDH1A1SMN1; SMN2TP53GAA
SCHEMBL1343238 0.77 L3MBTL1 (0.51) MAPK1ALDH1A1SMN1; SMN2TP53GAA

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