SCHEMBL24474658

SCHEMBL24474658

Cc1ccc(C#CCN2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
HRH3 Q9Y5N1 2/20 0.46
GRIN1 Q05586 1/20 0.43
MAPK14 Q16539 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12203973 0.84 LMNA (0.81) LMNAHRH3GRIN1POLBNPC1
SCHEMBL24474667 0.83 LMNA (0.58) LMNAHRH3GRIN1MAPK14ALDH1A1
SCHEMBL28393218 0.83 LMNA (0.58) LMNAHRH3MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3634873 0.83 LMNA (0.56) LMNAHRH3GRIN1POLBSMN1; SMN2
SCHEMBL5730258 0.83 LMNA (0.79) LMNAHRH3GRIN1POLBNPC1
SCHEMBL3707475 0.83 LMNA (0.49) LMNAHRH3POLBNPC1ALDH1A1
SCHEMBL25747232 0.81 LMNA (0.64) LMNAHRH3MAPK14ALDH1A1RECQL
SCHEMBL996088 0.80 LMNA (0.53) LMNAHRH3MAPK14ALDH1A1RECQL
SCHEMBL2955191 0.79 LMNA (0.45) LMNAHRH3MAPK14MEN1HTT
SCHEMBL13778489 0.77 KCNJ5 (0.47) LMNAMAPK14ALDH1A1RECQL

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
WO-2022115326-A1 METHODS OF MAKING A PPAR-DELTA AGONIST RENEO PHARMACEUTICALS, INC. (US) 2022-06-02 WO disclosed