SCHEMBL11090117

SCHEMBL11090117

CN(C)S(=O)(=O)c1ccc(Sc2ccccc2Br)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.42
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 3/20 0.39
PDE7A Q13946 3/20 0.39
PDE7B Q9NP56 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38

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
Hydrogen Sulfide SCHEMBL9669896 0.75 MAPT (0.49) MAPTALDH1A1PKMMEN1POLB
SCHEMBL25751893 0.73 PDE7A (0.42) ALDH1A1LMNASLC6A4SLC6A2SLC6A3
SCHEMBL10693083 0.73 CA1 (0.63) MAPTALDH1A1PKMMEN1POLB
SCHEMBL28385019 0.72 G6PD (0.61) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL28867147 0.70 G6PD (0.47) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL914479 0.70 ALDH1A1 (0.64) MAPTALDH1A1PKMMEN1POLB
SCHEMBL24439551 0.70 SLC6A2 (0.56) ALDH1A1LMNASLC6A4SLC6A2SLC6A3
SCHEMBL6937115 0.70 MAPT (0.63) MAPTALDH1A1PKMMEN1POLB
SCHEMBL24439562 0.68 SLC6A4 (0.44) ALDH1A1LMNASLC6A4SLC6A2SLC6A3
SCHEMBL3077036 0.68 ALDH1A1 (0.53) MAPTALDH1A1PKMMEN1POLB

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
US-4482711-A Process for the preparation of N,N-dimethyl-10-[1-aza-[2,2,2]-bicyclo-3-octyl]-10H-2-phenothiazine sulphonamide PHARMINDUSTRIE (FR) 1984-11-13 US disclosed