SCHEMBL7375221

SCHEMBL7375221

Cc1cc(C)c(S(=O)(=O)OC(=O)CC(N)N)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MAPK1 P28482 1/20 0.37
FABP4 P15090 1/20 0.35
NR3C1 P04150 2/20 0.35
RAPGEF4 Q8WZA2 4/20 0.35

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
SCHEMBL9953282 0.76 F2 (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL14810150 0.71 CA1 (0.53) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL3468509 0.69 F2 (0.46) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6121500 0.68 CA1 (0.48) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL20310 0.68 F2 (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL28525080 0.68 MAPT (0.44) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL11217626 0.68 KMT2A (0.42) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2678329 0.67 CA1 (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL4821971 0.67 F2 (0.43) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL9953277 0.67 F2 (0.47) F2PRSS1PRSS2PRSS3KMT2A

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
EP-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO disclosed