SCHEMBL27369890

SCHEMBL27369890

CCOc1ncc(CC)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
FFAR1 O14842 1/20 0.35
PTGS2 P35354 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PARP1 P09874 1/20 0.31
LRRK2 Q5S007 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL24666096 0.85 FFAR1 (0.39) DHODHFFAR1SLC13A5POLBMAPT
SCHEMBL26202197 0.85 HPGD (0.33) DHODHFFAR1SLC13A5POLBMAPT
SCHEMBL26202199 0.85 S1PR1 (0.36) DHODHFFAR1SLC13A5POLBMAPT
SCHEMBL12218007 0.84 PTGS2 (0.36) FFAR1PTGS2NOS3NOS1NOS2
SCHEMBL24666082 0.82 AAK1 (0.34) FFAR1AAK1
SCHEMBL24208476 0.80 PTGS2 (0.38) FFAR1PTGS2MAPTAAK1L3MBTL1
SCHEMBL19446283 0.80 SMN1; SMN2 (0.39) DHODHPTGS2POLBMAPTMAPK1
SCHEMBL16388761 0.79 NOS3 (0.45) NOS3NOS1NOS2SLC13A5PKM
SCHEMBL19673294 0.79 BRD4 (0.39) LRRK2
SCHEMBL10433762 0.78 NQO1 (0.41) MAPTRAB9A

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-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed