SCHEMBL8907409

SCHEMBL8907409

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 1/20 0.49
MMP1 P03956 1/20 0.45
SOST Q9BQB4 1/20 0.45
ATM Q13315 1/20 0.44
NAAA Q02083 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.40
PTPRC P08575 2/20 0.40
MLYCD O95822 1/20 0.40
CTSL P07711 1/20 0.40
PTPN13 Q12923 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL4766743 0.86 L3MBTL1 (0.46) MAPTCA2CA9MMP1NAAA
SCHEMBL4772916 0.85 L3MBTL1 (0.56) MAPTCA2NAAAL3MBTL1MLYCD
SCHEMBL9601827 0.83 MMP1 (0.44) MMP1NAAAL3MBTL1MLYCDHDAC3
SCHEMBL4769427 0.81 PLK1 (0.58) CA1CA2CA9L3MBTL1HDAC3
SCHEMBL961840 0.81 MAPT (0.47) KDM4EMAPTHIF1ACA1CA2
SCHEMBL8908235 0.81 L3MBTL1 (0.42) CA2MMP1NAAAL3MBTL1MLYCD
SCHEMBL2480571 0.79 RARB (0.50) MAPTMEN1KMT2AALDH1A1
SCHEMBL2310994 0.78 KDM4E (0.61) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL6288870 0.77 BDKRB2 (0.44) MAPTRAB9AALDH1A1LMNA
SCHEMBL8906739 0.77 MMP1 (0.39) KDM4ECA2MMP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5609848-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1997-03-11 US disclosed
US-5213787-A RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-05-25 US disclosed
EP-0203764-B1 RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-03-24 EP disclosed
US-5045303-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1991-09-03 US disclosed
US-4885153-A Radiohalogenated for proteins NEORX CORPORATION (US) 1989-12-05 US disclosed
EP-0203764-A2 Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1986-12-03 EP disclosed