SCHEMBL23716341

SCHEMBL23716341

CC(/C=C(\C)S)=C(/N)Cc1ccc(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM2 Q14416 1/20 0.31
KCNK3 O14649 1/20 0.30

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
SCHEMBL23716108 0.89 ANO1 (0.34) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL23716188 0.86 ANO1 (0.33) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL23715881 0.78 ANO1 (0.33) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL23716099 0.73 ANO1 (0.34) ANO1MAPTMAPK1GRM2
SCHEMBL23716075 0.72 IDO1 (0.40)
SCHEMBL23716287 0.71 ANO1 (0.34) ANO1MAPTMAPK1GRM2
SCHEMBL27371624 0.71 PNMT (0.39) ANO1MAPTMAPK1GRM2
SCHEMBL13567915 0.71 ANO1 (0.44) ANO1MAPTMAPK1KCNK3
SCHEMBL1555918 0.71 MAPT (0.40) ANO1MAPTMAPK1GRM2KCNK3
SCHEMBL3397980 0.71 CA2 (0.47) ANO1MAPTMAPK1GRM2

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed