SCHEMBL6439244

SCHEMBL6439244

Nc1cccc(CNC(=O)CN2C(=O)CC[C]c3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.41
THRB P10828 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
F2 P00734 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5024023 0.77 ITGB3 (0.58) KDM4EMAPK1F2
SCHEMBL6439601 0.73 ITGB3 (0.54) MAPK1POLBTHRBL3MBTL1KMT2A
SCHEMBL6444182 0.73 ITGB3 (0.56) KDM4EMAPK1L3MBTL1ALDH1A1HSD17B10
SCHEMBL6445537 0.72 ITGB3 (0.49) MAPK1POLBTHRBL3MBTL1KMT2A
SCHEMBL6440168 0.72 ITGB3 (0.67) MAPK1L3MBTL1HSD17B10
SCHEMBL6439156 0.72 LMNA (0.51) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL6446498 0.70 ITGB3 (0.46) KMT2AMEN1SMN1; SMN2HSD17B10TP53
SCHEMBL6440635 0.70 ITGB3 (0.55) TSHRHSD17B10
SCHEMBL6442811 0.68 MAPK1 (0.45) MAPK1L3MBTL1TSHR
SCHEMBL6425343 0.67 CHRM2 (0.38) POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed