SCHEMBL6864346

SCHEMBL6864346

COCCOC(=O)N1CCN([S+]([O-])c2ccc(-c3cccc(F)c3)nc2)[C@@H](C(=O)NO)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.40
MLNR O43193 2/20 0.38
HPGDS O60760 2/20 0.37
P2RY12 Q9H244 4/20 0.36
WNT3A P56704 6/20 0.35
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
MMP7 P09237 3/20 0.34
MMP9 P14780 3/20 0.34
MMP13 P45452 3/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL328559 0.82 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878483 0.74 F2R (0.41) F2RMLNRHPGDSP2RY12MMP1
SCHEMBL779217 0.74 MMP1 (0.51) MMP1MMP3MMP7MMP9MMP13
SCHEMBL12905511 0.73 F2R (0.41) F2RMLNRHPGDSP2RY12MMP1
SCHEMBL16507789 0.73 MMP9 (0.39) MMP1MMP3MMP7MMP9MMP13
SCHEMBL15596869 0.72 MMP1 (0.37) MMP1MMP3MMP7MMP9MMP13
SCHEMBL31389056 0.70 MLNR (0.38) F2RMLNRHPGDSWNT3AMMP1
SCHEMBL31653848 0.69 MMP3 (0.36) MLNRHPGDSMMP1MMP3MMP7
SCHEMBL14959637 0.68 KMT2A (0.36) MMP1MMP3MMP7MMP9MMP13
SCHEMBL2070138 0.66 HPGDS (0.64) HPGDSMAP4K4

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-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed