SCHEMBL6988726

SCHEMBL6988726

O=C(c1ccnc(C(=O)N(CCC(c2ccccc2)c2ccccc2)CCC(c2ccccc2)c2ccccc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM6B O15054 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
BBOX1 O75936 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5C P41229 1/20 0.41
ASPH Q12797 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
KDM8 Q8N371 1/20 0.41

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
SCHEMBL6988725 0.93 KDM4C (0.50) PTGDR2EPHX2ALDH1A1MAPTL3MBTL1
SCHEMBL6989792 0.81 MEN1 (0.45) ALDH1A1MAPTL3MBTL1KDM4EKDM6B
SCHEMBL6235622 0.80 BRD4 (0.43) ALDH1A1MAPTL3MBTL1KDM4EKDM6B
SCHEMBL6985002 0.78 KDM4E (0.42) PTGDR2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL5210605 0.77 CFTR (0.55) ALDH1A1MAPTL3MBTL1KDM4EKDM6B
SCHEMBL16569986 0.77 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM4EKDM6B
SCHEMBL6232235 0.74 KDM4A (0.43) ALDH1A1MAPTL3MBTL1KDM4EKDM6B
SCHEMBL6235620 0.74 KDM4C (0.49) ALDH1A1MAPTL3MBTL1KDM4EKDM6B
SCHEMBL18864231 0.73 MAPT (0.46) ALDH1A1MAPTL3MBTL1POLBKDM4E
SCHEMBL5808527 0.73 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1KDM4EKDM6B

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-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed