SCHEMBL9835822

SCHEMBL9835822

CCCN(CCC)CCN(C(C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RORC P51449 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KCNH2 Q12809 2/20 0.42
CACNA1F O60840 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL9834718 0.85 RORC (0.46) CYP2C9ALDH1A1TSHRLMNAMEN1
SCHEMBL8864040 0.83 CYP2C9 (0.44) CYP2C9ALDH1A1TSHRLMNAMEN1
SCHEMBL10693088 0.80 TDP1 (0.50) TSHRMEN1KMT2ACA12CA1
Risotilide SCHEMBL123045 0.80 TRPV4 (0.49) CYP2C9ALDH1A1TSHRLMNAMEN1
Risotilide SCHEMBL635829 0.78 LMNA (0.49) CYP2C9ALDH1A1TSHRLMNAMEN1
SCHEMBL10780221 0.70 GAA (0.43) CYP2C9ALDH1A1TSHRLMNACA12
SCHEMBL10693476 0.69 CA2 (0.49) ALDH1A1LMNAMEN1KMT2ACA1
SCHEMBL10645045 0.68 SMN1; SMN2 (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL10744418 0.67 CA9 (0.49) RORCCA12CA1CA2CA9
Bromide SCHEMBL10647145 0.67 SMN1; SMN2 (0.56) ALDH1A1TSHRLMNAMEN1KMT2A

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-B1 BENZENESULPHONAMIDES USEFUL AS ANTI-ARRYTHMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1991-03-06 EP claimed