SCHEMBL8645368

SCHEMBL8645368

CC(CC(=O)N1CCC([O])CC1)C(=O)c1ccc(C(N)=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
SLC9A1 P19634 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MC4R P32245 1/20 0.38
POLB P06746 1/20 0.37
F2 P00734 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8642886 0.85 ITGB3 (0.41) ITGB3ITGA2BSLC9A1TDP1MC4R
SCHEMBL8645365 0.83 TDP1 (0.43) ITGB3ITGA2BSLC9A1TDP1POLB
SCHEMBL8644236 0.81 SLC6A3 (0.49) SIGMAR1HRH3ALDH1A1
SCHEMBL8647542 0.81 MC4R (0.36) ITGB3ITGA2BSLC9A1TDP1MC4R
SCHEMBL8645350 0.81 ITGB3 (0.50) ITGB3ITGA2BSLC9A1F2MEN1
SCHEMBL8647892 0.77 SMN1; SMN2 (0.57) ITGB3ITGA2BMEN1KMT2AHRH3
SCHEMBL8642889 0.77 HTT (0.41) ITGB3ITGA2BSLC9A1TDP1MC4R
SCHEMBL4434863 0.74 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL8649064 0.74 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL5144245 0.74 ITGB3 (0.71) ITGB3ITGA2B

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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed