SCHEMBL10693088

SCHEMBL10693088

CCCN(CCC)CCN(C(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ESR2 Q92731 1/20 0.42
CCR5 P51681 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PSIP1 O75475 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL5191924 0.83 TDP1 (0.67) TDP1ESR1HTTMAPTTSHR
SCHEMBL10693087 0.81 TDP1 (0.46) TDP1ESR1HTTMAPTTSHR
SCHEMBL27700771 0.81 TDP1 (0.58) TDP1ESR1HTTMAPTTSHR
SCHEMBL9835822 0.80 CYP2C9 (0.46) MEN1KMT2AHTTMAPTTSHR
SCHEMBL3483564 0.78 HTT (0.48) TDP1KMT2AESR1HTTMAPT
SCHEMBL12130666 0.77 CNR2 (0.51) TDP1HTTMAPTTSHRMAPK1
SCHEMBL3922749 0.75 TDP1 (0.47) TDP1KMT2AHTTMAPTTSHR
SCHEMBL18997833 0.75 MAPK1 (0.52) TDP1MEN1KMT2AHTTMAPT
SCHEMBL3917401 0.75 TDP1 (0.47) TDP1KMT2AESR1HTTMAPT
SCHEMBL3653180 0.74 ESR2 (0.50) TDP1KMT2AESR1HTTMAPT

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