SCHEMBL8235752

SCHEMBL8235752

Cc1cc(C(=O)Nc2ccc(CNC(=O)CCC(C)C)cc2)cc(Cl)c1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ TDP1 Q9NUW8 9/20 0.41
▸ NPSR1 Q6W5P4 5/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ PLAU P00749 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8230030 0.86 PLAU (0.53) PLAUKMT2AHDAC1HDAC6
SCHEMBL8235456 0.85 PLAU (0.47) MAPTTDP1NPSR1KDM4ECA1
SCHEMBL5598072 0.80 PLAU (0.48) MAPTTDP1NPSR1XBP1GPR55
SCHEMBL8229818 0.79 HDAC1 (0.47) MAPTKDM4ENAMPTPLAUKMT2A
SCHEMBL5591785 0.75 PLAU (0.47) MAPTTDP1NPSR1KDM4ECA1
SCHEMBL5591557 0.75 PLAU (0.43) MAPTTDP1NPSR1XBP1GPR55
SCHEMBL5591617 0.74 PLAU (0.46) KDM4ECA1CA2PLAU
SCHEMBL5591687 0.74 CA12 (0.42) KDM4ECA1CA2
SCHEMBL5591556 0.72 PLAU (0.42) MAPTTDP1NPSR1KDM4ECA1
SCHEMBL5591560 0.72 PLAU (0.44) MAPTTDP1NPSR1KDM4EGAA

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
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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