SCHEMBL29458246

SCHEMBL29458246

Cc1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
PLK1 P53350 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALOX5AP P20292 1/20 0.36
CASP3 P42574 1/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL25383967 1.00 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL25384944 0.84 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL29458225 0.84 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL29458129 0.82 HTT (0.46) L3MBTL1RAB9ANPC1TSHRMEN1
SCHEMBL25384525 0.82 HTT (0.46) L3MBTL1RAB9ANPC1TSHRMEN1
SCHEMBL25383675 0.81 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL29458188 0.81 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL25383282 0.81 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL25383470 0.80 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL29458216 0.80 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9

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