SCHEMBL6439601

SCHEMBL6439601

O=C(CN1C(=O)CC[C]c2ccccc21)NCc1ccc(Nc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.54
ITGAV P06756 4/20 0.54
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 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
SCHEMBL6445537 0.86 ITGB3 (0.49) ITGB3ITGAVMAPK1L3MBTL1POLB
SCHEMBL6440168 0.80 ITGB3 (0.67) ITGB3ITGAVMAPK1L3MBTL1
SCHEMBL6439458 0.80 ITGB3 (0.49) ITGB3ITGAVSMN1; SMN2LMNA
SCHEMBL5025612 0.78 ITGB3 (0.69) ITGB3ITGAVMAPK1
SCHEMBL6444182 0.74 ITGB3 (0.56) ITGB3ITGAVMAPK1L3MBTL1TP53
SCHEMBL6439244 0.73 KDM4E (0.42) MAPK1L3MBTL1POLBKMT2ATP53
SCHEMBL5025650 0.69 ITGB3 (0.62) ITGB3ITGAVMAPK1L3MBTL1
SCHEMBL6439156 0.68 LMNA (0.51) POLBKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5026385 0.67 ITGB3 (0.76) ITGB3ITGAVMAPK1
SCHEMBL6471245 0.65 ITGB3 (0.57) ITGB3ITGAVMAPK1L3MBTL1POLB

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