SCHEMBL8338140

SCHEMBL8338140

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.38
▸ MMP13 P45452 5/20 0.38
▸ MMP1 P03956 5/20 0.38
▸ ADAM17 P78536 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ FAAH O00519 1/20 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
▸ CYP2C19 P33261 1/20 0.34
▸ MMP2 P08253 3/20 0.34
▸ MMP3 P08254 3/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33

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 0.97 MMP9 (0.41) MMP9MMP13MMP1ADAM17KDM4E
SCHEMBL8392500 0.96 MMP9 (0.43) MMP9MMP13MMP1ADAM17KDM4E
SCHEMBL8336310 0.96 MMP9 (0.43) MMP9MMP13MMP1ADAM17KDM4E
SCHEMBL8338207 0.94 TDP1 (0.37) MMP9MMP13MMP1ADAM17KDM4E
SCHEMBL8341296 0.91 TDP1 (0.40) KDM4EHTTCRHBPCRHR2TDP1
SCHEMBL8338089 0.90 TDP1 (0.37) KDM4EHTTTDP1CYP1A2CYP3A4
SCHEMBL8340431 0.90 MMP9 (0.39) MMP9MMP13MMP1ADAM17POLB
SCHEMBL8340341 0.89 KDM4E (0.36) KDM4EHTTTDP1MEN1KMT2A
SCHEMBL8339955 0.89 POLB (0.39) MMP9MMP13MMP1ADAM17POLB
SCHEMBL8332853 0.89 MMP9 (0.41) MMP9MMP13MMP1ADAM17KDM4E

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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