SCHEMBL21689149

SCHEMBL21689149

Nc1csc(C2=NCCS2)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL402898 0.65 PDPK1 (0.39) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL7936218 0.63 LOXL2 (0.35) NOS3NOS1NOS2LMNA
SCHEMBL5777989 0.63 ALDH1A1 (0.43) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL2785438 0.62 NISCH (0.46) LMNASMN1; SMN2
SCHEMBL13662750 0.60 CDC25A (0.39) NOS1SMN1; SMN2
SCHEMBL1460934 0.60 KDM4E (0.53) LMNASMN1; SMN2
SCHEMBL20390901 0.60 CYP19A1 (0.47) SMN1; SMN2
SCHEMBL2684609 0.60 KDM4E (0.53) LMNASMN1; SMN2
SCHEMBL9829767 0.59 KDM4E (0.66) LMNASMN1; SMN2
SCHEMBL18675868 0.59 HSP90AA1 (0.47) NOS1

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
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed