SCHEMBL30824693

SCHEMBL30824693

CCOC(=O)Nc1ccc(NCc2ccc(Cl)s2)cc1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
FFAR1 O14842 1/20 0.40
AGPAT2 O15120 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
KLKB1 P03952 1/20 0.37
ROCK2 O75116 1/20 0.36
PRKCA P17252 1/20 0.36
GRK2 P25098 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL2071931 1.00 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL2072308 0.90 KLKB1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL30794647 0.90 KLKB1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL30795297 0.84 RAB9A (0.39) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL2069883 0.84 RAB9A (0.39) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL30795429 0.84 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL2070740 0.84 SMN1; SMN2 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL2069986 0.84 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5FFAR1
SCHEMBL2070737 0.83 KDR (0.40) KCNQ3KCNQ2KCNQ4KCNQ5AGPAT2
SCHEMBL2072313 0.83 CHRM3 (0.45) FFAR1AGPAT2SMN1; SMN2MEN1NPC1

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
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed