SCHEMBL328401

SCHEMBL328401

CCOC(=O)N1CCN(CC(=O)N(C)CCN(CC(=O)NO)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ALDH1A1 P00352 8/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
MMP3 P08254 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36

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
SCHEMBL328388 0.91 MMP3 (0.43) MMP3POLBGAAMMP1MMP7
SCHEMBL328400 0.89 MMP3 (0.51) ALDH1A1LMNAMMP3MAPTSMN1; SMN2
SCHEMBL328557 0.88 ADRB2 (0.43) ADRB2ALDH1A1LMNAKMT2ANPSR1
SCHEMBL6852303 0.82 ADRB2 (0.38) ADRB2ALDH1A1LMNAKMT2ANPSR1
SCHEMBL6864692 0.82 MMP3 (0.50) ALDH1A1LMNAMMP3MAPTSMN1; SMN2
SCHEMBL328554 0.81 MMP3 (0.48) ALDH1A1LMNAKMT2AMEN1MMP3
SCHEMBL6863158 0.81 MMP3 (0.43) LMNAMMP3MMP1MMP7MMP8
SCHEMBL328412 0.81 MMP3 (0.37) KMT2AMEN1MMP3HPGD
SCHEMBL10067173 0.81 MMP3 (0.49) MMP3MMP1MMP7MMP8MMP12
SCHEMBL328413 0.80 MMP3 (0.51) MMP3MMP1MMP7MMP8MMP12

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 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