SCHEMBL16612268

SCHEMBL16612268

CNC1CCN(C2CCC(C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.39
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PDE7A Q13946 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
EBP Q15125 2/20 0.32
DHCR7 Q9UBM7 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22703924 0.91 KDM4E (0.39) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL883727 0.91 PDE7A (0.35) POLBKMT2AMEN1PDE7ACYP2C19
SCHEMBL724768 0.82 POLB (0.40) POLBKMT2AMEN1PDE7A
SCHEMBL723913 0.82 PDE7A (0.36) POLBKMT2AMEN1PDE7A
SCHEMBL12793878 0.81 POLB (0.34) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL15685757 0.81 POLB (0.34) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL12793873 0.81 POLB (0.34) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL19853574 0.81 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL14175056 0.81 KDM4E (0.47) KDM4EALDH1A1ALOX15POLBKMT2A
SCHEMBL724860 0.80 POLB (0.43) POLBKMT2AMEN1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed