SCHEMBL11269162

SCHEMBL11269162

CCC(NC(=O)c1cc(S(N)(=O)=O)c(OC)c2c1OCCO2)c1ccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 11/20 0.34
KCNA5 P22460 6/20 0.34
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31

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
SCHEMBL11265096 0.83 KCNK3 (0.39) KCNK3KCNA5GAAKDM4EALDH1A1
SCHEMBL11264360 0.79 KDM4E (0.51) KCNK3KCNA5GAAKDM4EALDH1A1
SCHEMBL11265109 0.78 KDM4E (0.36) KCNK3KCNA5KDM4EHPGDTSHR
Hydrochloric Acid SCHEMBL11259201 0.77 KDM4E (0.35) KCNK3KCNA5KDM4EHPGDTSHR
SCHEMBL11265571 0.77 HTR4 (0.38) KCNK3KCNA5KDM4EALDH1A1LMNA
Oxalic Acid SCHEMBL11257317 0.77 KDM4E (0.48) KCNK3KCNA5GAAKDM4EALDH1A1
SCHEMBL11269520 0.76 KDM4E (0.36) KCNK3KCNA5KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11259264 0.76 HTR4 (0.37) KCNK3KCNA5KDM4EALDH1A1LMNA
SCHEMBL11356296 0.76 HTR4 (0.45) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL11261736 0.76 KCNK3 (0.38) KCNK3KCNA5KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US claimed
US-4323503-A PSYCHOFUNCTION PROPERTIES SUCH AS ANXIOLYTIC OR PSYCHOSTIMULANT SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1982-04-06 US disclosed
US-4306072-A ANXIOLYTIC AND PSYCHOSTIMULANT ACTIVITY FOR TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE (FR) 1981-12-15 US disclosed
US-4268512-A ANXIOLYTIC AGENTS, PSYCHOSTIMULANTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-05-19 US disclosed
US-4255580-A TREATMENT OF PSYCHOLOGICAL DISORDERS SIOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1981-03-10 US disclosed
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 disclosed
US-4186135-A TREATMENT OF PSYCHOLOGICAL DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1980-01-29 US disclosed