SCHEMBL9416181

SCHEMBL9416181

COCCOCOc1c(C#N)sc(OC(C)=O)c1OCOCCOC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
PTPN1 P18031 1/20 0.32
STING1 Q86WV6 1/20 0.31
CTNNB1 P35222 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
SCHEMBL9416182 0.88 SMN1; SMN2 (0.32) ADORA2A
SCHEMBL8518087 0.76 ADORA2A (0.32) ADORA2A
SCHEMBL7963062 0.75 KMT2A (0.47) ADORA2A
SCHEMBL8517371 0.75 SMN1; SMN2 (0.30)
SCHEMBL9416174 0.74 ADORA2A (0.30) ADORA2A
SCHEMBL9065075 0.74 ADORA2A (0.30) ADORA2A
SCHEMBL8119631 0.69 STING1 (0.44) PTPN1STING1CTNNB1
SCHEMBL7960015 0.67 GPR88 (0.32)
SCHEMBL8124909 0.65 PTPN1 (0.59) PTPN1STING1CTNNB1
SCHEMBL8127905 0.63 PTPN1 (0.44) PTPN1STING1CTNNB1

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-0628562-A1 Cephalospornis having in position 7 as substituted axymino radical, intermediates, processes for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1994-12-14 EP disclosed