SCHEMBL6985382

SCHEMBL6985382

Cc1cccc(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
HSD11B1 P28845 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS2 P35354 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL1018225 0.79 PDE4A (0.45) PDE4APDE4CPDE4DCA1CA2
SCHEMBL25406591 0.79 PDE4A (0.40) PDE4APDE4CPDE4DHPGDHSD17B10
SCHEMBL7038679 0.78 CCR1 (0.41) HSD11B1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17430077 0.76 PDE4A (0.41) PDE4APDE4CPDE4DHSD11B1DRD2
SCHEMBL941919 0.76 PDE4A (0.37) PDE4APDE4CPDE4DHSD11B1KDM4E
SCHEMBL20243530 0.76 CA1 (0.38) PDE4APDE4CPDE4DHSD11B1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL28461783 0.76 HSD11B1 (0.44) HSD11B1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2185193 0.74 PDE4A (0.37) PDE4APDE4CPDE4DCA1CA2
SCHEMBL5106809 0.74 MEN1 (0.48) PDE4APDE4CPDE4DHSD11B1KDM4E
SCHEMBL227790 0.74 KCNH2 (0.45) PDE4APDE4CPDE4DDRD2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO disclosed