SCHEMBL11089667

SCHEMBL11089667

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cc(Cl)ccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.48
CDK1 P06493 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
LMNA P02545 1/20 0.38
KMT2A Q03164 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
SCHEMBL11090774 0.89 GAA (0.49) TSHRGAACDK1SMN1; SMN2KCNJ6
SCHEMBL11086619 0.89 GAA (0.51) TSHRGAACDK1SMN1; SMN2
SCHEMBL10454399 0.88 TSHR (0.54) TSHRGAACDK1SMN1; SMN2LMNA
SCHEMBL11085204 0.85 CDK1 (0.41) TSHRGAACDK1SMN1; SMN2KCNJ6
SCHEMBL10508252 0.82 GAA (0.58) GAACDK1KMT2A
SCHEMBL11161956 0.82 TSHR (0.61) TSHRGAACDK1SMN1; SMN2
SCHEMBL10839228 0.82 SMN1; SMN2 (0.47) TSHRGAACDK1SMN1; SMN2
SCHEMBL11088741 0.81 GAA (0.49) TSHRGAACDK1SMN1; SMN2
SCHEMBL9730627 0.81 GAA (0.59) TSHRGAACDK1
SCHEMBL11068347 0.81 GAA (0.48) TSHRGAACDK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023141-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, COMPOSITIONS CONTAINING THEM, INTERMEDIATES THEREFOR AND PREPARATION OF SUCH INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-11 EP claimed
EP-0023141-A2 Herbicidal sulfonamides, preparation and use thereof, compositions containing them, intermediates therefor and preparation of such intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP claimed
EP-0023141-A2 Herbicidal sulfonamides, preparation and use thereof, compositions containing them, intermediates therefor and preparation of such intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP disclosed