SCHEMBL4623397

SCHEMBL4623397

NC(=O)[C@H](CCC(=O)O)N(Cc1ccccc1)C(=O)c1ccc(Nc2ncccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
TSHR P16473 1/20 0.37
EPOR P19235 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
LTA4H P09960 2/20 0.35
PTGES O14684 1/20 0.35
PPIA P62937 1/20 0.35
NAMPT P43490 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
SCHEMBL27826145 0.83 TRPM8 (0.46) TSHREPORHDAC3HDAC1HDAC7
SCHEMBL4367868 0.82 TSHR (0.43) TSHRTRPM8MEN1KMT2A
SCHEMBL5652505 0.80 KMT2A (0.40) EPORHDAC3HDAC1HDAC7HDAC10
SCHEMBL5651671 0.77 OXTR (0.46) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL4650068 0.76 KMT2A (0.51) POLBMAPTMEN1KMT2A
SCHEMBL5653131 0.76 CYP1A2 (0.46) TSHREPORGAAMAPTTRPM8
SCHEMBL2246642 0.75 MMP12 (0.41) MAPTHDAC3HDAC1PTGES
SCHEMBL4369489 0.74 PTGES (0.45) MAPTHDAC1HDAC6PTGESMEN1
SCHEMBL5652973 0.74 PPARD (0.49) POLBMAPT
SCHEMBL5650478 0.74 TRPM8 (0.50) TRPM8PTGESPPARGMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed