SCHEMBL8338656

SCHEMBL8338656

CCCCCC1(N=S(=O)=O)CC1.CNC(=S)NC(=O)C(C)(C)c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALDH1A1 P00352 3/20 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
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL8335690 0.84 MMP1 (0.36) HTTKDM4ECRHBPCRHR2GAA
SCHEMBL8340007 0.80 TDP1 (0.49) HTTKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL8335999 0.76 TDP1 (0.51) HTTKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL8336211 0.73 HTT (0.42) HTTKDM4EGAASMN1; SMN2CYP1A2
SCHEMBL8336596 0.72 TDP1 (0.53) HTTKDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL8335861 0.71 HTT (0.39) HTTKDM4ECRHBPCRHR2GAA
SCHEMBL8339547 0.69 HPGD (0.42) HTTKDM4ECRHBPCRHR2GAA
SCHEMBL8340378 0.69 HTT (0.44) HTTKDM4EGAASMN1; SMN2TDP1
SCHEMBL8340529 0.67 TDP1 (0.44) HTTKDM4ECRHBPCRHR2GAA
SCHEMBL8337202 0.65 HPGD (0.39) HTTKDM4ECRHBPCRHR2GAA

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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