SCHEMBL30899272

SCHEMBL30899272

Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1S(=O)(=O)N1CCOCC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 0.46
OPRK1 P41145 4/20 0.45
OPRM1 P35372 3/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
POLB P06746 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
SCHEMBL24512273 1.00 CNR1 (0.46) CNR1CNR2OPRK1OPRM1MAPT
SCHEMBL24512135 0.87 CNR1 (0.43) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL30899286 0.87 CNR1 (0.43) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL29717111 0.83 CNR1 (0.64) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL24512245 0.83 CNR1 (0.64) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL24512121 0.79 CNR1 (0.46) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL29717158 0.79 CNR1 (0.41) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL24512243 0.79 CNR1 (0.41) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL24512359 0.79 CNR1 (0.46) CNR1CNR2MAPTSMN1; SMN2KDM4E
SCHEMBL24512334 0.78 CNR1 (0.48) CNR1CNR2MAPTSMN1; SMN2KDM4E

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-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 CN disclosed