SCHEMBL6938140

SCHEMBL6938140

CC(C)SCC[C@@H](N)[C@@H](O)C(=O)NNC(=O)c1ccc(SCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.61
METAP1 P53582 9/20 0.61
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
RECQL P46063 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL6489212 1.00 METAP2 (0.61) METAP2METAP1KDM4EMAPTHPGD
SCHEMBL6485556 0.94 METAP2 (0.66) METAP2METAP1KDM4EMAPTHPGD
SCHEMBL6477641 0.90 METAP2 (0.64) METAP2METAP1KDM4EMAPTMEN1
SCHEMBL6478263 0.87 METAP2 (0.66) METAP2METAP1MEN1KMT2AHDAC1
SCHEMBL6477940 0.84 METAP2 (0.68) METAP2METAP1
SCHEMBL6490303 0.84 METAP2 (0.62) METAP2METAP1MEN1KMT2AHDAC1
SCHEMBL6486428 0.83 METAP2 (0.66) METAP2METAP1
SCHEMBL6487343 0.83 METAP2 (0.68) METAP2METAP1
SCHEMBL6483137 0.82 METAP2 (0.64) METAP2METAP1
SCHEMBL6477350 0.82 METAP2 (0.64) METAP2METAP1

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-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP claimed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO claimed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed