SCHEMBL17913065

SCHEMBL17913065

CC(=NNc1ccc(Br)cc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
GAA P10253 3/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
CASP6 P55212 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CA9 Q16790 3/20 0.57
CA12 O43570 1/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ITGA1 P56199 1/20 0.52
GPR27 Q9NS67 2/20 0.52
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
NHERF1 O14745 1/20 0.51
FAAH O00519 1/20 0.49
GFER P55789 1/20 0.49
TMPRSS6 Q8IU80 2/20 0.49

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
SCHEMBL17913056 0.88 LMNA (0.62) MAPTGAARAB9ATDP1L3MBTL1
SCHEMBL17913101 0.87 GAA (0.56) MAPTGAARAB9ANPC1POLB
SCHEMBL17913049 0.87 GAA (0.56) MAPTGAARAB9ANPC1POLB
SCHEMBL17913052 0.85 PGR (0.61) MAPTGAATDP1CA9CA12
SCHEMBL17913083 0.85 PGR (0.61) MAPTGAATDP1CA9CA12
SCHEMBL17913038 0.84 FAAH (0.55) MAPTGAARAB9ANPC1TDP1
SCHEMBL6285944 0.84 RAB9A (0.66) MAPTGAARAB9ANPC1POLB
SCHEMBL6285948 0.84 RAB9A (0.66) MAPTGAARAB9ANPC1POLB
SCHEMBL17913102 0.81 CA12 (0.56) MAPTGAATDP1CA9CA12
SCHEMBL17913042 0.80 ALDH1A1 (0.60) MAPTGAATDP1MEN1KMT2A

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-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 WO disclosed