SCHEMBL328557

SCHEMBL328557

CCOC(=O)N1CCN(CCS(=O)(=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
MMP3 P08254 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AHCY P23526 1/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
MMP9 P14780 2/20 0.36
ADAM17 P78536 2/20 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
SCHEMBL6850247 0.91 ADRB2 (0.44) ADRB2ALDH1A1KMT2ALMNAMEN1
SCHEMBL328560 0.91 MMP3 (0.44) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL6863812 0.90 MMP3 (0.52) MMP3AHCYMMP1MMP13MMP9
SCHEMBL328555 0.88 MMP3 (0.53) MMP3ALDH1A1KMT2AMEN1MAPT
SCHEMBL328401 0.88 ADRB2 (0.43) ADRB2MMP3ALDH1A1KMT2ALMNA
SCHEMBL6850180 0.82 MMP9 (0.40) MMP3ALDH1A1MMP1MMP13MMP9
SCHEMBL328556 0.81 MMP3 (0.40) MMP3KMT2AMEN1MAPTAHCY
SCHEMBL6865124 0.80 MMP3 (0.40) MMP3MMP1MMP13MMP9ADAM17
SCHEMBL328388 0.80 MMP3 (0.43) MMP3TSHRPOLBMMP1MMP13
SCHEMBL328649 0.80 MMP1 (0.44) MMP3KMT2AMMP1MMP13MMP9

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