SCHEMBL21532979

SCHEMBL21532979

CCN1CCC(CS)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
EPHX1 P07099 2/20 0.38
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 2/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ACHE P22303 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
SCHEMBL23997616 0.84 GNAO1 (0.44) SMN1; SMN2HRH3EPHX1EPHX2
SCHEMBL31273888 0.79 HRH3 (0.49) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL178287 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL22793920 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL17574097 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL3532163 0.75 SMN1; SMN2 (0.48) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL22520700 0.75 ACHE (0.50) SMN1; SMN2HRH3HSD11B1KDM4EACHE
SCHEMBL102378 0.75 NCF1 (0.58) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL2439300 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1
SCHEMBL772530 0.75 SMN1; SMN2 (0.43) SMN1; SMN2HRH3EPHX1EPHX2HSD11B1

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-3316877-B1 ADO-RESISTANT CYSTEAMINE ANALOGS AND USES THEREOF HORIZON ORPHAN LLC (US) 2019-10-30 EP disclosed