SCHEMBL30899307

SCHEMBL30899307

Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1S(=O)(=O)C12CCC(COC1)N2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL24512243 0.73 CNR1 (0.41) MAOBCNR1CNR2POLBL3MBTL1
SCHEMBL29717158 0.73 CNR1 (0.41) MAOBCNR1CNR2POLBL3MBTL1
SCHEMBL24512121 0.71 CNR1 (0.46) MAOBCNR1CNR2L3MBTL1BRD4
SCHEMBL24512359 0.71 CNR1 (0.46) MAOBCNR1CNR2L3MBTL1BRD4
SCHEMBL30899283 0.70 MAOB (0.36) MAOBCNR1CNR2POLBL3MBTL1
SCHEMBL24512231 0.69 BRD4 (0.47) BRD4BRD2BRD3
SCHEMBL29717155 0.69 BRD4 (0.47) BRD4BRD2BRD3
SCHEMBL29717111 0.68 CNR1 (0.64) CNR1CNR2L3MBTL1BRD4BRD2
SCHEMBL24512245 0.68 CNR1 (0.64) CNR1CNR2L3MBTL1BRD4BRD2
SCHEMBL24512334 0.68 CNR1 (0.48) CNR1CNR2POLBL3MBTL1BRD4

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