SCHEMBL24969103

SCHEMBL24969103

C[Si](C)(C)C#Cc1cccc(CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CYP2D6 P10635 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
HRH4 Q9H3N8 1/20 0.35
PTGES O14684 6/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL2797815 0.84 GRM5 (0.38) GRM5CYP2D6HRH3HRH4PTGES
SCHEMBL3351697 0.82 FFAR1 (0.48) GRM5TSHRCYP2D6HRH3HRH4
SCHEMBL8850812 0.81 HRH3 (0.47) GRM5CYP2D6HRH3HRH4PTGES
SCHEMBL19440746 0.81 CYP2D6 (0.39) GRM5CYP2D6HRH3HRH4PTGES
SCHEMBL3614755 0.80 GRM5 (0.39) GRM5ALDH1A1CYP2D6
SCHEMBL26703935 0.79 TRPA1 (0.39) GRM5TRPA1ALDH1A1TSHRCYP2D6
SCHEMBL19442429 0.79 PRMT6 (0.45) GRM5CYP2D6HRH3HRH4
SCHEMBL3353828 0.79 GRM5 (0.51) GRM5CYP2D6HRH3
SCHEMBL3446231 0.78 FFAR1 (0.49) ALDH1A1TSHRPTGES
SCHEMBL20630692 0.77 TRPA1 (0.36) TRPA1ALDH1A1TSHR

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed