SCHEMBL8648281

SCHEMBL8648281

NC(=S)c1ccc(C(=O)CCC(=O)N2CCC([O])CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 2/20 0.60
HRH3 Q9Y5N1 14/20 0.50
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MCHR1 Q99705 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
SCHEMBL8648284 0.90 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8647892 0.83 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL7291497 0.82 KMT2A (0.51) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8650351 0.79 KMT2A (0.52) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8647528 0.79 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8647737 0.77 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8650373 0.76 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8642886 0.76 ITGB3 (0.41) SMN1; SMN2KMT2AHRH3HTTMEN1
SCHEMBL8644505 0.76 ITGB3 (0.38) SMN1; SMN2KMT2AHTT
SCHEMBL8646519 0.73 KMT2A (0.46) SMN1; SMN2KMT2AHRH3HTTMEN1

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