SCHEMBL29458188

SCHEMBL29458188

Cc1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(C#N)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
S1PR1 P21453 6/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PLK1 P53350 1/20 0.36
SCN9A Q15858 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 2/20 0.33
GSK3B P49841 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK14 Q16539 1/20 0.33
S1PR3 Q99500 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL25383675 1.00 L3MBTL1 (0.44) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL25384944 0.81 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL29458246 0.81 L3MBTL1 (0.48) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL25383967 0.81 L3MBTL1 (0.48) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL29458225 0.81 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL30616366 0.80 LPL (0.43) L3MBTL1LMNATSHRMAPTHPGD
SCHEMBL26131069 0.80 LPL (0.43) L3MBTL1LMNATSHRMAPTHPGD
SCHEMBL25384525 0.79 HTT (0.46) L3MBTL1S1PR1TSHRNFKB1RAB9A
SCHEMBL29458129 0.79 HTT (0.46) L3MBTL1S1PR1TSHRNFKB1RAB9A
SCHEMBL25383282 0.78 L3MBTL1 (0.44) L3MBTL1S1PR1CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225753-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2023-08-16 EP disclosed
WO-2022074103-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2022-04-14 WO disclosed