SCHEMBL11261736

SCHEMBL11261736

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNA5 P22460 5/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 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
SCHEMBL11265109 0.90 KDM4E (0.36) KCNK3KDM4EHPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11259201 0.89 KDM4E (0.35) KCNK3KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL11265096 0.89 KCNK3 (0.39) KCNK3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11269520 0.88 KDM4E (0.36) KCNK3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11260004 0.88 NPC1 (0.39) KCNK3NPC1RAB9AMEN1KMT2A
SCHEMBL11366385 0.86 KCNA5 (0.34) KCNK3MEN1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL11258194 0.85 KCNA5 (0.34) KCNK3MEN1KMT2AKDM4EHPGD
SCHEMBL11270721 0.85 KCNA5 (0.35) KCNK3MEN1KMT2AKDM4EHPGD
SCHEMBL11364002 0.83 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
Phosphoric Acid SCHEMBL11257055 0.81 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1HPGD

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