SCHEMBL23715909

SCHEMBL23715909

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CA P42336 1/20 0.33
TRPA1 O75762 1/20 0.32
GRM2 Q14416 2/20 0.32
PNMT P11086 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
GRM3 Q14832 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
SCHEMBL23716287 0.87 ANO1 (0.34) ANO1MAPTMAPK1PIK3CATRPA1
SCHEMBL23716186 0.87 IDO1 (0.41) PIK3CAPNMTTAAR1
SCHEMBL23715951 0.80 GRM2 (0.34) ANO1MAPTMAPK1PIK3CAGRM2
SCHEMBL23716188 0.79 ANO1 (0.33) ANO1MAPTMAPK1GRM2
SCHEMBL23716096 0.79 IDO1 (0.37) MAPTTAAR1
SCHEMBL23716112 0.77 PIK3CA (0.43) PIK3CATRPA1GRM2GRM3
SCHEMBL23715780 0.74 IDO1 (0.42) PIK3CAPNMTTAAR1
SCHEMBL23716046 0.73 IDO1 (0.38) MAPTTAAR1
SCHEMBL23715862 0.73 IDO1 (0.41) PIK3CAPNMTTAAR1
SCHEMBL27371624 0.72 PNMT (0.39) ANO1MAPTMAPK1PIK3CAGRM2

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