SCHEMBL8301720

SCHEMBL8301720

O=C(CO)c1cccc(Cl)c1OCCOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4C Q9H3R0 1/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OXTR P30559 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL8302809 0.89 KMT2A (0.51) MEN1KMT2AKDM4CCCNA2CDK2
SCHEMBL8299866 0.87 MEN1 (0.47) MEN1KMT2AKDM4CGAAMAPT
SCHEMBL8297699 0.86 MEN1 (0.43) MEN1KMT2AKDM4CCCNA2CDK2
SCHEMBL14615145 0.82 KMT2A (0.47) MEN1KMT2AKDM4CL3MBTL1
SCHEMBL14614862 0.78 MEN1 (0.44) MEN1KMT2AKDM4CMAPTL3MBTL1
SCHEMBL8301772 0.78 MEN1 (0.47) MEN1KMT2AKDM4CMAPTL3MBTL1
SCHEMBL8296596 0.76 MEN1 (0.51) MEN1KMT2AKDM4CMAPTL3MBTL1
SCHEMBL21818634 0.76 KMT2A (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8296603 0.76 MEN1 (0.54) MEN1KMT2AKDM4CGAANPC1
SCHEMBL8299855 0.74 MEN1 (0.44) MEN1KMT2AKDM4CMAPTL3MBTL1

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-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed