SCHEMBL6446498

SCHEMBL6446498

O=C(CN1C(=O)CC[C]c2ccccc21)NCc1cc(CNc2nc3ccccc3[nH]2)cs1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.46
ITGAV P06756 17/20 0.46
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6424374 0.82 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL6440635 0.81 ITGB3 (0.55) ITGB3ITGAVHSD17B10
SCHEMBL5026340 0.81 ITGB3 (0.46) ITGB3ITGAVRAB9AMEN1NPC1
SCHEMBL6440168 0.81 ITGB3 (0.67) ITGB3ITGAVHSD17B10
SCHEMBL6444182 0.78 ITGB3 (0.56) ITGB3ITGAVRAB9ANPC1TP53
SCHEMBL6440900 0.74 ITGB3 (0.49) ITGB3ITGAVRAB9AMEN1NPC1
SCHEMBL6445908 0.72 ITGB3 (0.58) ITGB3ITGAVRAB9AMEN1NPC1
SCHEMBL6445537 0.71 ITGB3 (0.49) ITGB3ITGAVMEN1LMNAKMT2A
SCHEMBL6439941 0.70 ITGB3 (0.49) ITGB3ITGAVHSD17B10
SCHEMBL6439244 0.70 KDM4E (0.42) MEN1LMNAKMT2ATP53SMN1; SMN2

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