SCHEMBL8332853

SCHEMBL8332853

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.41
▸ MMP13 P45452 5/20 0.41
▸ ADAM17 P78536 4/20 0.41
▸ MMP1 P03956 4/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 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 0.91 MMP9 (0.41) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8336310 0.91 MMP9 (0.43) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8392500 0.91 MMP9 (0.43) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8339304 0.90 MMP9 (0.42) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8340743 0.90 MMP9 (0.40) MMP9MMP13ADAM17MMP1KMT2A
SCHEMBL8338841 0.89 MMP9 (0.40) MMP9MMP13ADAM17MMP1KDM4E
SCHEMBL8338140 0.89 MMP9 (0.38) MMP9MMP13ADAM17MMP1KMT2A
SCHEMBL8341075 0.88 NPC1 (0.39) MMP9MMP13ADAM17MMP1KMT2A
SCHEMBL8340696 0.86 RAB9A (0.46) KMT2AKDM4EHTTCNR1CNR2
SCHEMBL8337089 0.85 MMP9 (0.43) MMP9MMP13ADAM17MMP1HDAC1

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
Send feedback