SCHEMBL4554491

SCHEMBL4554491

Cc1nn(C)c(-n2ccc3cccnc32)c1/C=C/C=O.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
SLC22A12 Q96S37 3/20 0.36
CYP2C19 P33261 1/20 0.34
PARP1 P09874 1/20 0.34
MTNR1A P48039 1/20 0.34
BRAF P15056 3/20 0.33
ENPP3 O14638 1/20 0.33
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL962123 0.88 L3MBTL1 (0.40) L3MBTL1CDC7CDK2RAPGEF4SLC22A12
SCHEMBL965190 0.84 ALDH1A1 (0.47) L3MBTL1CDC7CDK2RAPGEF4SLC22A12
SCHEMBL964355 0.84 L3MBTL1 (0.39) L3MBTL1CDC7CDK2RAPGEF4SLC22A12
SCHEMBL964353 0.84 L3MBTL1 (0.39) L3MBTL1CDC7CDK2RAPGEF4SLC22A12
SCHEMBL965188 0.84 ALDH1A1 (0.47) L3MBTL1CDC7CDK2RAPGEF4SLC22A12
SCHEMBL4553928 0.82 CA12 (0.35) L3MBTL1CDC7CDK2RAPGEF4CYP2C19
SCHEMBL4555113 0.81 MEN1 (0.35) CYP2C19SMN1; SMN2
SCHEMBL962300 0.80 LMNA (0.38) L3MBTL1SLC22A12PARP1MTNR1AENPP3
SCHEMBL967688 0.79 PARP1 (0.40) L3MBTL1CDC7CDK2RAPGEF4SLC22A12
SCHEMBL967690 0.79 PARP1 (0.40) L3MBTL1CDC7CDK2RAPGEF4SLC22A12

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed