SCHEMBL19633955

SCHEMBL19633955

COc1ccc(CN(Sc2cc(C)c(Br)cc2F)c2ccc(F)cn2)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
TSHR P16473 6/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
APLNR P35414 1/20 0.32
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 5/20 0.32
CYP2D6 P10635 5/20 0.32
CYP2C19 P33261 5/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL20256829 0.86 POLB (0.36) GAAHTR2AHTR2CTSHRALDH1A1
SCHEMBL19633951 0.83 KMT2A (0.36) GAAHTR2AHTR2CTSHRALDH1A1
SCHEMBL20256888 0.81 GAA (0.39) GAATSHRALDH1A1NPSR1MEN1
SCHEMBL19634163 0.80 GAA (0.36) GAAHTR2AHTR2CTSHRALDH1A1
SCHEMBL19613950 0.79 OXTR (0.37) GAATSHRALDH1A1MEN1KMT2A
SCHEMBL20096250 0.74 POLB (0.39) GAATSHRALDH1A1MEN1KMT2A
SCHEMBL16177653 0.71 GAA (0.38) GAAALDH1A1MEN1KMT2AAPLNR
SCHEMBL19001206 0.71 MEN1 (0.36) GAAHTR2AHTR2CTSHRALDH1A1
SCHEMBL20256744 0.71 GAA (0.38) GAAHTR2ATSHRALDH1A1MEN1
SCHEMBL20256415 0.71 HTR2A (0.38) GAAHTR2ATSHRALDH1A1NPSR1

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