SCHEMBL1009007

SCHEMBL1009007

CCOC(=O)C(C)CSc1cn[c]s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNE2 O96020 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL971410 0.78 CCNB2 (0.54) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL970570 0.76 ALDH1A1 (0.45) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL2650788 0.74 SMN1; SMN2 (0.48) CCNE1CDK2CDK1CDK4CCNE2
SCHEMBL969682 0.72 CYP2C9 (0.34) CCNE1CDK2CDK1CDK4ALDH1A1
SCHEMBL969584 0.66 CDC7 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17129772 0.66 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL31065468 0.66 METAP2 (0.42) ALDH1A1LMNATDP1METAP2METAP1
SCHEMBL12707543 0.66 ALDH1A1 (0.42) ALDH1A1LMNATDP1METAP2METAP1
SCHEMBL12707546 0.66 ALDH1A1 (0.42) ALDH1A1LMNATDP1METAP2METAP1
SCHEMBL16626926 0.66 ALDH1A1 (0.42) ALDH1A1LMNATDP1METAP2METAP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed