SCHEMBL16319403

SCHEMBL16319403

N#Cc1cc(F)c(Oc2ccc(Cl)cc2OC(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.38
SLC22A12 Q96S37 9/20 0.38
AR P10275 3/20 0.37
IDH1 O75874 1/20 0.36
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
KCNH2 Q12809 1/20 0.35
NOS2 P35228 2/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16319803 0.81 SLC6A4 (0.44) SLC22A12ARSLC6A4SLC6A2KCNH2
SCHEMBL365994 0.77 AR (0.46) SLC22A12AR
SCHEMBL18189524 0.77 IDH1 (0.50) SLC22A12ARIDH1SLC6A4SLC6A2
SCHEMBL16319451 0.74 AR (0.46) SLC22A12ARKDM4EALDH1A1
SCHEMBL16319245 0.74 SCN9A (0.44) EPAS1SLC6A4SLC6A2
SCHEMBL363575 0.73 AR (0.51) SLC22A12ARSLC6A4
SCHEMBL8396955 0.73 EPHX2 (0.50) EPAS1SLC6A4SLC6A2KCNH2
SCHEMBL16319665 0.71 ESRRA (0.47) SLC22A12ARSLC6A4SLC6A2NOS2
SCHEMBL7931554 0.71 EPAS1 (0.42) EPAS1SLC6A4KCNH2
SCHEMBL16319638 0.70 SLC22A12 (0.48) SLC22A12ARKDM4EALDH1A1

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