SCHEMBL3404518

SCHEMBL3404518

CCOC(=O)c1cnc(N2CC3=C(CN(OC(=O)OC(C)(C)C)C3)C2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.43
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
PARP1 P09874 1/20 0.36
TNK2 Q07912 1/20 0.36
TNK1 Q13470 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
HCRTR2 O43614 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL3145554 0.87 OGA (0.51) OGACDC7DBF4PARP1TNK2
SCHEMBL8083829 0.87 OGA (0.44) OGACDC7DBF4PARP1TNK2
SCHEMBL3402356 0.86 SCD (0.38) HDAC3HDAC4HDAC1HDAC6CRBN
SCHEMBL2290295 0.81 OGA (0.48) OGACDC7DBF4PARP1TNK2
SCHEMBL3407350 0.79 NAMPT (0.46) OGALMNAHDAC3HDAC4HDAC1
SCHEMBL3402804 0.78 P2RY12 (0.47) OGAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2297207 0.78 OGA (0.48) OGACDC7DBF4PARP1TNK2
SCHEMBL3155607 0.76 OGA (0.52) OGAPARP1TNK2TNK1ADORA1
SCHEMBL3408635 0.75 NAMPT (0.50) POLBHTTHDAC3HDAC4HDAC1
SCHEMBL2822395 0.74 OGA (0.43) OGACDC7DBF4PARP1TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152711-B1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI AVENTIS (FR) 2010-11-24 EP disclosed
EP-2152711-A1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS Sanofi-Aventis (FR) 2010-02-17 EP disclosed
WO-2008135141-A1 2 -HETEROARYL- PYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2008-11-13 WO disclosed