SCHEMBL328488

SCHEMBL328488

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NC(=O)CN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.42
ALDH1A1 P00352 5/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
MAPT P10636 3/20 0.40
BMP1 P13497 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 1/20 0.36
PKM P14618 1/20 0.35
POLB P06746 1/20 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
SCHEMBL6864692 0.93 MMP3 (0.50) MMP3ALDH1A1MAPTBMP1LMNA
SCHEMBL328400 0.86 MMP3 (0.51) MMP3ALDH1A1MAPTBMP1LMNA
SCHEMBL10066483 0.83 MMP3 (0.41) MMP3ALDH1A1KEAP1NFE2L2MAPT
SCHEMBL328554 0.83 MMP3 (0.48) MMP3ALDH1A1MAPTBMP1LMNA
SCHEMBL328412 0.83 MMP3 (0.37) MMP3KEAP1NFE2L2HPGDMMP2
SCHEMBL6850229 0.81 ALDH1A1 (0.39) MMP3ALDH1A1MAPTBMP1LMNA
SCHEMBL328403 0.81 MEN1 (0.40) MMP3ALDH1A1MAPTBMP1LMNA
SCHEMBL6852594 0.81 AHCY (0.44) MMP3ALDH1A1CA9
SCHEMBL6852266 0.80 HRH3 (0.36) L3MBTL1MMP2MMP9MMP13
SCHEMBL328480 0.80 MMP3 (0.47) MMP3ALDH1A1MAPTBMP1LMNA

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