SCHEMBL11270359

SCHEMBL11270359

C=CCC(NC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2)c1ccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
KCNK3 O14649 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11302963 0.90 KDM4E (0.33) KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11271371 0.90 KDM4E (0.33) KDM4EHPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11269660 0.90 KDM4E (0.33) KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11265096 0.88 KCNK3 (0.39) GAAKCNK3KDM4EHPGDSMN1; SMN2
SCHEMBL11267687 0.83 GAA (0.45) GAAKCNK3KDM4EHPGDSMN1; SMN2
SCHEMBL11265109 0.80 KDM4E (0.36) KCNK3KDM4EHPGDSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11259201 0.79 KDM4E (0.35) KCNK3KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11269520 0.78 KDM4E (0.36) KCNK3KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11261736 0.78 KCNK3 (0.38) KCNK3KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11011018 0.78 CA1 (0.46) GAAKDM4E

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 8 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
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