SCHEMBL30824643

SCHEMBL30824643

COc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 5/20 0.40
KMT2A Q03164 3/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL22217 1.00 KCNQ3 (0.55) KCNQ3KCNQ2CTNNB1TCF7L2HTT
SCHEMBL30824694 0.91 CTNNB1 (0.46) KCNQ3KCNQ2CTNNB1TCF7L2HTT
SCHEMBL20540 0.91 CTNNB1 (0.46) KCNQ3KCNQ2CTNNB1TCF7L2HTT
SCHEMBL30824684 0.90 MMP13 (0.47) KCNQ3KCNQ2TP53MAPTMMP13
SCHEMBL20473 0.90 MMP13 (0.47) KCNQ3KCNQ2TP53MAPTMMP13
SCHEMBL21737 0.89 KCNQ3 (0.62) KCNQ3KCNQ2HTTSMN1; SMN2TP53
SCHEMBL30795749 0.89 KCNQ3 (0.62) KCNQ3KCNQ2HTTSMN1; SMN2TP53
SCHEMBL22343 0.85 L3MBTL1 (0.48) KCNQ3KCNQ2CTNNB1TCF7L2HTT
SCHEMBL30795753 0.85 L3MBTL1 (0.48) KCNQ3KCNQ2CTNNB1TCF7L2HTT
SCHEMBL23080 0.85 KCNQ3 (0.58) KCNQ3KCNQ2HTTSMN1; SMN2TP53

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