SCHEMBL1497560

SCHEMBL1497560

O=C(O)N1CCc2nncn2CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
NAMPT P43490 1/20 0.40
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 3/20 0.38
PARP1 P09874 2/20 0.34
NOTUM Q6P988 2/20 0.33
CDK1 P06493 1/20 0.33
MYT1 Q01538 1/20 0.33
GABRA5 P31644 1/20 0.32
SPR P35270 1/20 0.32
SCN9A Q15858 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL30980046 0.84 NAMPT (0.49) PDPK1NAMPTDPP4DPP8PARP1
SCHEMBL1497458 0.77 HTT (0.44) PDPK1
SCHEMBL22127224 0.72 SCD (0.43) NAMPTCDK1MYT1SPR
SCHEMBL22977583 0.72 DPP4 (0.49) PDPK1NAMPTDPP4DPP8PARP1
SCHEMBL16219018 0.69 DPP4 (0.49) PDPK1NAMPTDPP4DPP8PARP1
SCHEMBL25937534 0.69 DPP4 (0.55) PDPK1NAMPTDPP4DPP8PARP1
SCHEMBL12208897 0.69 NAMPT (0.45) PDPK1NAMPTDPP4DPP8PARP1
SCHEMBL348289 0.69
SCHEMBL25428982 0.69 DPP4 (0.39) PDPK1NAMPTDPP4DPP8PARP1
SCHEMBL25428980 0.69 DPP4 (0.39) PDPK1NAMPTDPP4DPP8PARP1

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-2475661-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2012-07-18 EP disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 WO disclosed