SCHEMBL7329689

SCHEMBL7329689

CN(NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 2/20 0.49
NTSR1 P30989 1/20 0.49
HDAC2 Q92769 3/20 0.48
HDAC3 O15379 2/20 0.48
SYK P43405 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NCOR2 Q9Y618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9279691 0.84 NAMPT (0.54) HDAC1MEN1KMT2ANAMPTLMNA
SCHEMBL7289218 0.83 HDAC1 (0.56) HDAC1MEN1KMT2ANAMPTNTSR1
SCHEMBL9756736 0.83 AKT1 (0.53) HDAC1HDAC2HDAC3SYKMAPT
SCHEMBL6288470 0.82 SYK (0.57) HDAC1MEN1KMT2ANAMPTNTSR1
SCHEMBL14485285 0.81 SYK (0.62) HDAC1MEN1KMT2ANAMPTNTSR1
SCHEMBL14004867 0.81 HDAC1 (0.55) HDAC1MEN1KMT2ANAMPTLMNA
SCHEMBL9865771 0.80 MEN1 (0.56) HDAC1MEN1KMT2ANAMPTNTSR1
SCHEMBL3838871 0.77 CA12 (0.63) HDAC1MEN1KMT2ANAMPTSYK
SCHEMBL7428120 0.77 HDAC1 (0.56) HDAC1MEN1KMT2ANAMPTNTSR1
SCHEMBL25054127 0.77 SYK (0.55) HDAC1MEN1KMT2ANAMPTNTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981531-A FOR INHIBITING PLATELET AGGREGATION ZENECA LIMITED (GB) 1999-11-09 US disclosed
US-5760057-A ANTICOAGULANTS ZENECA LIMITED (GB) 1998-06-02 US disclosed
EP-0632016-B1 1,2-Diacylated hydrazine derivatives and their use as cell adhesion inhibitors ZENECA LTD (GB) 1997-04-09 EP disclosed
US-5612373-A ANTICOAGULANTS ZENECA LIMITED (GB) 1997-03-18 US disclosed
EP-0632016-A1 1,2-Diacylated hydrazine derivatives and their use as cell adhesion inhibitors ZENECA LIMITED (GB) 1995-01-04 EP disclosed