SCHEMBL6445537

SCHEMBL6445537

O=C(CN1C(=O)CC[C]c2ccccc21)NCc1ccc(Nc2ncc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGAV P06756 8/20 0.49
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RET P07949 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
SCHEMBL6439601 0.86 ITGB3 (0.54) ITGB3ITGAVMAPK1L3MBTL1POLB
SCHEMBL6440168 0.86 ITGB3 (0.67) ITGB3ITGAVMAPK1L3MBTL1
SCHEMBL5026385 0.80 ITGB3 (0.76) ITGB3ITGAVMAPK1
SCHEMBL6444182 0.77 ITGB3 (0.56) ITGB3ITGAVMAPK1L3MBTL1TP53
SCHEMBL6445908 0.74 ITGB3 (0.58) ITGB3ITGAVL3MBTL1KMT2ATP53
SCHEMBL6439244 0.72 KDM4E (0.42) MAPK1L3MBTL1POLBKMT2ATP53
SCHEMBL6441545 0.71 ITGB3 (0.57) ITGB3ITGAVTP53
SCHEMBL6446498 0.71 ITGB3 (0.46) ITGB3ITGAVKMT2ATP53MEN1
SCHEMBL6439782 0.70 ITGB3 (0.57) ITGB3ITGAVSMN1; SMN2
SCHEMBL6439442 0.70 ITGB3 (0.50) ITGB3ITGAVKMT2ATP53MEN1

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