SCHEMBL11116512

SCHEMBL11116512

c1nc(-c2nnco2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.39
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL23716669 0.69
SCHEMBL12906161 0.69 NOTUM (0.59) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL6306433 0.64 NOTUM (0.39) NOTUMTSHRMAPTTLR8ALDH1A1
SCHEMBL29683111 0.64 KDM4E (0.59) NOTUMMAPTTLR8KDM4EALDH1A1
SCHEMBL2746970 0.64 KDM4E (0.59) NOTUMMAPTTLR8KDM4EALDH1A1
SCHEMBL24921973 0.63 MAPT (0.42) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL1178849 0.63 NOTUM (0.42) NOTUMMAPTKDM4EALDH1A1
SCHEMBL14401143 0.63 NOTUM (0.44) NOTUMTSHRMAPTKDM4EALDH1A1
SCHEMBL12446805 0.63 NOTUM (0.66) NOTUMTLR8KDM4E
SCHEMBL440423 0.63 NOTUM (0.42) NOTUMTSHRMAPTTLR8KDM4E

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-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed