SCHEMBL5325178

SCHEMBL5325178

CC(Oc1nnc(-c2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)c2ccccc12)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
FFAR2 O15552 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
SCHEMBL12792113 0.82 CCNE2 (0.41) MAPTGAAHTTGPR55
SCHEMBL12792077 0.82 CCNE2 (0.41) MAPTGAAHTTGPR55
SCHEMBL3084379 0.82 CA1 (0.33) HTTNPSR1
SCHEMBL13138600 0.82 ADORA2A (0.36) MAPTCYP1A2CYP2C9CYP2C19ADORA2A
SCHEMBL5325182 0.80 CNR1 (0.40) MAPTADORA2AADORA1HTTNPSR1
SCHEMBL3076140 0.79 ADORA2A (0.41) MAPTADORA2AADORA1PDE4APDE4C
SCHEMBL3071096 0.77 SALL4 (0.40) MAPTGAAHTTNPSR1
SCHEMBL3072846 0.76 GAA (0.33) GAAHTTNPSR1GPR55
SCHEMBL635407 0.76 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19ADORA2A
SCHEMBL29560409 0.76 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19ADORA2A

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-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed