SCHEMBL10693087

SCHEMBL10693087

CC(C)N(CCN(C(C)C)S(=O)(=O)c1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.44
APOBEC3G Q9HC16 1/20 0.42
CCR5 P51681 1/20 0.41
NR1I2 O75469 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 1/20 0.40
PSIP1 O75475 1/20 0.39
ESR1 P03372 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10679045 0.83 GAA (0.42) TDP1TSHRALDH1A1
SCHEMBL3483564 0.81 HTT (0.48) TDP1HTTTSHRMAPTMAPK1
SCHEMBL10693088 0.81 TDP1 (0.50) TDP1HTTTSHRMAPTMAPK1
SCHEMBL12130666 0.81 CNR2 (0.51) TDP1HTTTSHRMAPTMAPK1
SCHEMBL5191924 0.81 TDP1 (0.67) TDP1HTTTSHRMAPTMAPK1
SCHEMBL3922749 0.79 TDP1 (0.47) TDP1HTTTSHRMAPTMAPK1
SCHEMBL18997833 0.79 MAPK1 (0.52) TDP1HTTTSHRMAPTMAPK1
SCHEMBL3917401 0.79 TDP1 (0.47) TDP1HTTTSHRMAPTMAPK1
SCHEMBL27700771 0.78 TDP1 (0.58) TDP1HTTTSHRMAPTMAPK1
SCHEMBL3653180 0.78 ESR2 (0.50) TDP1HTTTSHRMAPTMAPK1

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-0260901-A1 Benzenesulphonamides useful as anti-arrythmic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-03-23 EP claimed