SCHEMBL8392500

SCHEMBL8392500

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 7/20 0.43
▸ MMP1 P03956 6/20 0.43
▸ MMP13 P45452 5/20 0.43
▸ ADAM17 P78536 4/20 0.43
▸ POLB P06746 1/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP3 P08254 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ FAAH O00519 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
SCHEMBL8336310 1.00 MMP9 (0.43) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8334670 0.99 MMP9 (0.41) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8338140 0.96 MMP9 (0.38) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8338207 0.92 TDP1 (0.37) MMP9MMP1MMP13ADAM17KDM4E
SCHEMBL8339955 0.91 POLB (0.39) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8332853 0.91 MMP9 (0.41) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL8336849 0.90 MMP9 (0.44) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8340743 0.90 MMP9 (0.40) MMP9MMP1MMP13ADAM17MMP2
SCHEMBL8337089 0.89 MMP9 (0.43) MMP9MMP1MMP13ADAM17POLB
SCHEMBL8341296 0.89 TDP1 (0.40) KDM4ECRHBPHTTCRHR2TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
Send feedback