SCHEMBL7924841

SCHEMBL7924841

Nc1ccc(-c2ccc(C(=O)NCCC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
HIF1A Q16665 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
MAPK1 P28482 2/20 0.56
CD274 Q9NZQ7 1/20 0.55
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54

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
SCHEMBL130343 0.95 KDM4E (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
Trifluoroacetic Acid SCHEMBL2650961 0.86 KDM4E (0.57) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL9717434 0.86 MAPK1 (0.71) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL6263089 0.85 MAPK1 (0.72) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8407980 0.84 F10 (0.60) CA1CA2MAPK1
SCHEMBL8435925 0.83 MAPK1 (0.81) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL28757390 0.82 MAPK1 (0.84) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL6258138 0.82 MAPK1 (0.84) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL9344489 0.82 KDM4E (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL5926408 0.81 EPHX2 (0.63) CA1CA2MAPK1CD274

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
US-6228985-B1 COMPOUNDS THAT INHIBIT INTERACTION OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR WITH UROKINASE-TYPE PLASMINOGEN RECEPTOR; ANTITUMOR AGENTS; ANTIMETASTASIS AGENTS; ANTIARTHRITIC AGENTS FOR RHEUMATOID ARTHRITIS SCHERING CORPORATION 2001-05-08 US disclosed