SCHEMBL29458181

SCHEMBL29458181

Cc1nc(-c2cc(C(=O)Cl)ccc2-c2ccccc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PLK1 P53350 1/20 0.45
MAPK14 Q16539 2/20 0.45
NR1H4 Q96RI1 2/20 0.44
ADORA2A P29274 6/20 0.44
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
ADORA1 P30542 4/20 0.41
LMNA P02545 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
SCHEMBL29458203 0.89 NR1H4 (0.55) NPSR1MAPTKDM4EGAAHSD17B10
SCHEMBL5316474 0.86 GAA (0.49) NPSR1MAPTKDM4EGAAHSD17B10
SCHEMBL1020649 0.80 L3MBTL1 (0.68) MAPTGAAL3MBTL1PLK1NR1H4
SCHEMBL8044311 0.78 PLK1 (0.48) NPSR1MAPTKDM4EGAAHSD17B10
SCHEMBL6926831 0.78 PLK1 (0.51) NPSR1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL25385448 0.77 PLK1 (0.50) NPSR1MAPTKDM4EHSD17B10L3MBTL1
SCHEMBL25384637 0.76 PLK1 (0.49) MAPTKDM4EHSD17B10L3MBTL1PLK1
SCHEMBL1021042 0.76 PLK1 (0.67) GAAL3MBTL1PLK1MAPK14NR1H4
SCHEMBL1353027 0.76 PTGS2 (0.49) MAPTL3MBTL1RAB9ANPC1
SCHEMBL5316479 0.75 NPC1 (0.54) NPSR1MAPTKDM4EGAAHSD17B10

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