SCHEMBL28610470

SCHEMBL28610470

COc1cnc(OS(C)(=O)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
APLNR P35414 5/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL3138241 0.78 SIRT6 (0.56) SIRT6APLNRTUBB4ATUBBTUBA3C
SCHEMBL31039780 0.76 NNMT (0.43) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3253381 0.76 MAPK1 (0.45) SIRT6LMNAGRM5
SCHEMBL17541069 0.74 SIRT6 (0.42) SIRT6APLNRLMNASMN1; SMN2TUBB4A
SCHEMBL27556535 0.72 NAAA (0.42) SMN1; SMN2
SCHEMBL14279346 0.71 SIRT6 (0.40) SIRT6APLNRLMNASMN1; SMN2TUBB4A
SCHEMBL31294478 0.71 SIRT6 (0.43) SIRT6APLNRLMNASMN1; SMN2TUBB4A
SCHEMBL22374062 0.71 APLNR (0.49) SIRT6APLNRLMNASMN1; SMN2TUBB4A
Water SCHEMBL27576541 0.71 NAAA (0.41) SMN1; SMN2
SCHEMBL18035007 0.71 GRM5 (0.49) GRM5

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
CN-107105667-B Probes for imaging huntingtin CHDI基金会股份有限公司 2021-08-17 CN disclosed