SCHEMBL8338841

SCHEMBL8338841

CCCCCC(CCC(C(=O)NC(=S)NC(C)(C)C)c1ccc(OC)cc1)N=S(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.40
▸ MMP13 P45452 5/20 0.40
▸ ADAM17 P78536 4/20 0.40
▸ MMP1 P03956 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL8334670 0.90 MMP9 (0.41) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8332853 0.89 MMP9 (0.41) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8392500 0.89 MMP9 (0.43) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8336310 0.89 MMP9 (0.43) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8340743 0.88 MMP9 (0.40) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8338140 0.87 MMP9 (0.38) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8341075 0.86 NPC1 (0.39) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8340696 0.84 RAB9A (0.46) KDM4EHTTALDH1A1MAPTLMNA
SCHEMBL8337089 0.84 MMP9 (0.43) MMP9MMP13ADAM17MMP1HDAC1
SCHEMBL8339304 0.83 MMP9 (0.42) MMP9MMP13ADAM17MMP1KDM4E

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