SCHEMBL11082095

SCHEMBL11082095

O=S(=O)(Cl)C1CCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 5/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HTT P42858 3/20 0.43
XBP1 P17861 1/20 0.43
CYP1A2 P05177 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.41

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
SCHEMBL29617530 0.84 IDO1 (0.50) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL9441442 0.84 HTR6 (0.46) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL1793811 0.84 HTR6 (0.46) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL28161613 0.84 LMNA (0.47) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL1878272 0.84 IDO1 (0.50) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL3698922 0.82 HTR6 (0.45) HTR6IDO1ALDH1A1CA1CA2
Zinc Ion SCHEMBL4882957 0.82 HTR6 (0.49) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL3698920 0.82 HTR6 (0.49) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL4885963 0.82 HTR6 (0.49) HTR6IDO1ALDH1A1CA1CA2
SCHEMBL3004774 0.82 HTR6 (0.49) HTR6IDO1ALDH1A1CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465506-A Herbicidal N-[heterocyclicaminocarbonyl]-1H-indene and tetrahydronaphthalene sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-08-14 US disclosed
EP-0082681-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-06-29 EP disclosed
EP-0027906-B1 PROCESS FOR PREPARING SULPHON AMIDES BAYER AG (DE) 1983-05-25 EP disclosed
EP-0027906-A1 Process for preparing sulphon amides BAYER AG (DE) 1981-05-06 EP disclosed