SCHEMBL8334100

SCHEMBL8334100

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MMP9 P14780 5/20 0.35
▸ MMP13 P45452 5/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ GPR88 Q9GZN0 1/20 0.34
▸ ADAM17 P78536 5/20 0.34
▸ MMP1 P03956 4/20 0.34
▸ CHIT1 Q13231 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ACACB O00763 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL8337089 0.91 MMP9 (0.43) POLBMMP9MMP13ADAM17MMP1
SCHEMBL8339955 0.90 POLB (0.39) POLBMMP9MMP13LMNAMMP8
SCHEMBL8336849 0.90 MMP9 (0.44) POLBMMP9MMP13LMNAMMP8
SCHEMBL8340431 0.88 MMP9 (0.39) POLBMMP9MMP13CNR2ADAM17
SCHEMBL8338276 0.84 TAS1R3 (0.37) POLBMMP9MMP13CNR2GPR88
SCHEMBL8339304 0.82 MMP9 (0.42) MMP9MMP13SMN1; SMN2CNR2ADAM17
SCHEMBL8334058 0.82 MMP9 (0.41) MMP9MMP13GPR88ADAM17MMP1
SCHEMBL8334670 0.82 MMP9 (0.41) POLBMMP9MMP13ADAM17MMP1
SCHEMBL8336310 0.81 MMP9 (0.43) POLBMMP9MMP13ADAM17MMP1
SCHEMBL8392500 0.81 MMP9 (0.43) POLBMMP9MMP13ADAM17MMP1

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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