SCHEMBL5879562

SCHEMBL5879562

CC(=O)OC1c2ccccc2C(=O)N(Cc2nc(C(=O)NCc3cc(CNc4ccccn4)cs3)cs2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.56
ITGAV P06756 6/20 0.56
GRM5 P41594 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC40A1 Q9NP59 6/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5879558 0.86 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879510 0.78 GRIN2B (0.41) ITGB3ITGAV
SCHEMBL5025645 0.78 ITGB3 (0.54) ITGB3ITGAVSLC40A1
SCHEMBL5025680 0.78 ITGB3 (0.47) ITGB3ITGAVSMN1; SMN2SLC40A1
SCHEMBL5879571 0.75 ITGB3 (0.53) ITGB3ITGAVSMN1; SMN2SLC40A1
SCHEMBL5879621 0.70 ITGB3 (0.51) ITGB3ITGAVMAPK1
SCHEMBL5879569 0.70 ITGB3 (0.51) ITGB3ITGAVMAPK1MAPT
SCHEMBL5879664 0.70 ITGB3 (0.52) ITGB3ITGAVMEN1ALDH1A1KMT2A
SCHEMBL5879751 0.68 ITGB3 (0.49) ITGB3ITGAVMAPTMEN1ALDH1A1
SCHEMBL5879692 0.65 NOS2 (0.48) ITGB3ITGAVSMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed