SCHEMBL11366385

SCHEMBL11366385

CCC(NC(=O)c1cc(S(=O)(=O)CC)cc2c1OCCCO2)c1ccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.34
KCNK3 O14649 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
Hydrochloric Acid SCHEMBL11258194 0.99 KCNA5 (0.34) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
SCHEMBL11265109 0.96 KDM4E (0.36) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL11259201 0.95 KDM4E (0.35) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
SCHEMBL11270721 0.91 KCNA5 (0.35) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
SCHEMBL11265096 0.88 KCNK3 (0.39) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
SCHEMBL11269520 0.87 KDM4E (0.36) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
SCHEMBL11302963 0.86 KDM4E (0.33) SMN1; SMN2KDM4EHSD17B10HPGDTSHR
SCHEMBL11261736 0.86 KCNK3 (0.38) KCNA5KCNK3SMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL11269660 0.86 KDM4E (0.33) SMN1; SMN2KDM4EHSD17B10HPGDTSHR
SCHEMBL11274218 0.86 GAA (0.36) SMN1; SMN2KDM4EHSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4248885-A FOR GASTROINTESTINAL, UROGENITAL, RHEUMATIC, AND CARDIOVASCULAR DISEASE SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-02-03 US claimed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed