SCHEMBL30797253

SCHEMBL30797253

Cc1ccc(NC(C)CC(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
SORT1 Q99523 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 1/20 0.38
HCAR3 P49019 1/20 0.37
IDO1 P14902 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL22868105 0.78 CA12 (0.46) SMN1; SMN2TSHRMAPTNPC1RAB9A
SCHEMBL12697232 0.78 TP53 (0.61) NPSR1SORT1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL2703752 0.77 CA12 (0.44) SMN1; SMN2TSHRMAPTMAPK1LMNA
SCHEMBL2705958 0.74 ALDH1A1 (0.50) SMN1; SMN2TSHRMAPTMAPK1NPC1
SCHEMBL4124188 0.74 ALDH1A1 (0.50) SMN1; SMN2TSHRMAPTMAPK1NPC1
SCHEMBL5861572 0.74 ALDH1A1 (0.50) SMN1; SMN2TSHRMAPTMAPK1NPC1
SCHEMBL15223665 0.74 NPSR1 (0.41) NPSR1SORT1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL12697206 0.74 TDP1 (0.43) NPSR1SORT1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL6257260 0.73 HIF1A (0.44) SMN1; SMN2TSHRMAPTMAPK1NPC1
SCHEMBL5860329 0.73 MEN1 (0.47) NPSR1SMN1; SMN2TSHRMAPTMAPK1

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed