SCHEMBL8338441

SCHEMBL8338441

CCCCCC(C)N(C(=O)C(C)c1ccc(OC)c(N=S(=O)=O)c1)C(=S)NC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ ADAM17 P78536 2/20 0.32
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ C5 P01031 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
SCHEMBL8335608 0.99 SMPD1 (0.34) SMN1; SMN2CYP3A4SMPD1MMP1MMP9
SCHEMBL8338614 0.97 SMN1; SMN2 (0.35) SMN1; SMN2SMPD1GAATDP1L3MBTL1
SCHEMBL8389248 0.94 TAS1R3 (0.32) SMN1; SMN2ALDH1A1GLAMAPTNPSR1
SCHEMBL8337752 0.93 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4SMPD1MMP1MMP9
SCHEMBL8336318 0.92 SMPD1 (0.35) SMN1; SMN2CYP3A4SMPD1MMP1MMP9
SCHEMBL8340225 0.91 SMN1; SMN2 (0.33) SMN1; SMN2CYP3A4SMPD1MMP1MMP9
SCHEMBL8335692 0.91 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4SMPD1MMP1MMP9
SCHEMBL8340001 0.90 SMN1; SMN2 (0.36) SMN1; SMN2SMPD1GAATDP1L3MBTL1
SCHEMBL8333752 0.90 HIF1A (0.34) SMN1; SMN2ALDH1A1MAPT
SCHEMBL8333029 0.89 ALDH1A1 (0.31) ALDH1A1MAPT

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
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