SCHEMBL19634002

SCHEMBL19634002

COc1ccc(CN(Sc2c(F)cc(F)c(Br)c2F)c2ncns2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
APLNR P35414 1/20 0.32
KDM4E B2RXH2 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CA2 P00918 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
SCHEMBL19634057 0.89 KDM4E (0.34) DHFRPOLBGAAHTR2AAPLNR
SCHEMBL19633950 0.84 TSHR (0.33) POLBGAAAPLNRKDM4ECYP1A2
SCHEMBL19001230 0.84 KDM4E (0.35) DHFRPOLBGAAHTR2AAPLNR
SCHEMBL19634236 0.83 KDM4E (0.35) POLBGAAHTR2AAPLNRKDM4E
SCHEMBL22087758 0.80 POLB (0.35) POLBGAAHTR2AAPLNRKDM4E
SCHEMBL19634163 0.80 GAA (0.36) DHFRPOLBGAAHTR2AHTR2C
SCHEMBL26184797 0.80 HTR2A (0.38) DHFRPOLBGAAHTR2AAPLNR
SCHEMBL19634006 0.79 DHFR (0.36) DHFRPOLBGAAHTR2AHTR2C
SCHEMBL19613425 0.78 SCN9A (0.39) DHFRPOLBGAAAPLNRKDM4E
SCHEMBL22089038 0.77 HTR2A (0.36) POLBGAAHTR2AAPLNRKDM4E

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
WO-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO disclosed