SCHEMBL9740397

SCHEMBL9740397

CCCC1CC(=O)c2ccsc2S1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL3927087 0.81 HTR2C (0.34) HTR2C
SCHEMBL8793023 0.80 SIRT2 (0.39) HTR2CSIRT2
SCHEMBL8794212 0.77 HTT (0.32) HTR2C
SCHEMBL8792741 0.76 TSHR (0.38) HTR2C
SCHEMBL1123239 0.75 KDM4E (0.44) HTR2C
SCHEMBL1122649 0.75 KDM4E (0.44) HTR2C
SCHEMBL3349385 0.75 KDM4E (0.44) HTR2C
SCHEMBL8473555 0.71 S100A4 (0.35) HTR2C
SCHEMBL22868095 0.70 KDM4E (0.40) SIRT2
SCHEMBL9739615 0.69 CA2 (0.48)

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-5091409-A Useful in treatment of ocular hypertension and glaucoma MERCK & CO., INC. (US) 1992-02-25 US disclosed
EP-0457586-A1 4-alkylamino-6-(C3-5-hydrocarbyl)thieno [2,3-B] thiopyran-2-sulfonamide-7,7-dioxides MERCK & CO. INC. (US) 1991-11-21 EP disclosed