SCHEMBL16319500

SCHEMBL16319500

N#Cc1ccc(Oc2ccc(Cl)cc2)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.48
TBXA2R P21731 4/20 0.47
KCNH2 Q12809 4/20 0.44
SLC6A4 P31645 4/20 0.44
HTR2A P28223 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MERTK Q12866 1/20 0.43
CYP19A1 P11511 1/20 0.42
FFAR1 O14842 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL29255047 0.81 AR (0.48) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL366867 0.81 FFAR1 (0.50) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL20554635 0.81 TBXA2R (0.50) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL20554608 0.79 AR (0.75) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL11649803 0.77 SLC6A4 (0.57) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL2259191 0.77 MAOB (0.57) ARKDM4EMEN1MAPTKMT2A
SCHEMBL28084858 0.75 MAOB (0.55) ARKDM4EMEN1MAPTKMT2A
SCHEMBL26835414 0.75 AR (0.43) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL2964216 0.74 MAPT (0.70) ARTBXA2RKCNH2SLC6A4HTR2A
SCHEMBL13343061 0.74 FFAR1 (0.47) ARTBXA2RKCNH2SLC6A4HTR2A

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-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed