SCHEMBL4574898

SCHEMBL4574898

Cc1cc2c(C=O)ccc(OC(F)F)c2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 1/20 0.33
DRD1 P21728 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
PDE4B Q07343 3/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
BACE1 P56817 4/20 0.31
CTSD P07339 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL6950777 0.84 TYR (0.33) CA12CA9DRD1PDE4BALDH1A1
SCHEMBL73726 0.82 ALDH1A1 (0.45) KDM4EHTTNPC1RAB9AALDH1A1
SCHEMBL8191375 0.81 KDM4E (0.35) KDM4EHTTALDH1A1CYP1A1CYP1A2
SCHEMBL74659 0.77 POLB (0.41) PDE4BPDE4APDE4CPDE4D
SCHEMBL4574938 0.74 MEN1 (0.38) KDM4ECA12CA9NPC1RAB9A
SCHEMBL74040 0.72 ERN1 (0.43) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL8190529 0.71 KDM4E (0.41) KDM4EHTTNPC1RAB9APDE4B
SCHEMBL18145704 0.70 ALDH1A1 (0.44) KDM4EHTTDRD1PDE4BALDH1A1
SCHEMBL18157268 0.70 SMN1; SMN2 (0.42) KDM4EDRD1NPC1RAB9AALDH1A1
SCHEMBL8169795 0.69 PDE4B (0.43) KDM4EDRD1NPC1RAB9APDE4B

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
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed