SCHEMBL29958142

SCHEMBL29958142

CC(C)(C)OC(=O)Nc1nc(CC=O)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.48
PI4KB Q9UBF8 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR2 P41597 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6677351 0.88 SIRT1 (0.52) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL1030124 0.85 PI4KB (0.50) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL2175797 0.85 SMN1; SMN2 (0.50) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL27853416 0.84 SIRT1 (0.46) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL356279 0.83 SMN1; SMN2 (0.64) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL13033265 0.83 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL9071272 0.83 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL6679893 0.83 SIRT1 (0.49) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL16123390 0.83 SIRT1 (0.52) SIRT1PI4KBSMN1; SMN2KMT2ATSHR
SCHEMBL2668976 0.83 SIRT1 (0.47) SIRT1PI4KBSMN1; SMN2KMT2ATSHR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed