SCHEMBL6444182

SCHEMBL6444182

O=C(CN1C(=O)CC[C]c2ccccc21)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.56
ITGAV P06756 15/20 0.56
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATR Q13535 1/20 0.42

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
SCHEMBL6440168 0.86 ITGB3 (0.67) ITGB3ITGAVMAPK1HSD17B10L3MBTL1
SCHEMBL5029896 0.80 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL6440635 0.78 ITGB3 (0.55) ITGB3ITGAVHSD17B10
SCHEMBL6446498 0.78 ITGB3 (0.46) ITGB3ITGAVNPC1TP53RAB9A
SCHEMBL6445537 0.77 ITGB3 (0.49) ITGB3ITGAVMAPK1ALDH1A1TP53
SCHEMBL5879550 0.76 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL6445908 0.75 ITGB3 (0.58) ITGB3ITGAVNPC1TP53RAB9A
SCHEMBL6439601 0.74 ITGB3 (0.54) ITGB3ITGAVMAPK1NPC1ALDH1A1
SCHEMBL6439244 0.73 KDM4E (0.42) MAPK1KDM4EALDH1A1TP53HSD17B10
SCHEMBL6426207 0.72 ITGB3 (0.71) ITGB3ITGAV

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