SCHEMBL8340223

SCHEMBL8340223

CCCCCC1CCC1N=S(=O)=O.CNC(=S)NC(=O)C(C)c1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ GPR88 Q9GZN0 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMYD3 Q9H7B4 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
SCHEMBL8335900 0.84 TDP1 (0.46) KDM4ECRHBPHTTCRHR2PKM
SCHEMBL8335690 0.78 MMP1 (0.36) MMP1MMP9MMP13ADAM17GPR88
SCHEMBL8339931 0.78 TDP1 (0.48) KDM4ECRHBPHTTCRHR2MEN1
SCHEMBL8338140 0.70 MMP9 (0.38) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL8334670 0.69 MMP9 (0.41) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL8392500 0.69 MMP9 (0.43) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL8336310 0.69 MMP9 (0.43) MMP1MMP9MMP13ADAM17KDM4E
SCHEMBL8337813 0.68 TDP1 (0.39) GPR88KDM4ECRHBPCRHR2PKM
SCHEMBL8338348 0.68 TDP1 (0.39) MMP1MMP9MMP13ADAM17GPR88
SCHEMBL8338207 0.66 TDP1 (0.37) MMP1MMP9MMP13ADAM17KDM4E

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-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
Send feedback