SCHEMBL14345710

SCHEMBL14345710

C=C(O)c1sc(Cc2ccc(F)cc2)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.55
PTGS2 P35354 3/20 0.52
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL14345711 0.73 PTGDR2 (0.69) PTGDR2MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL5415273 0.72 PPARA (0.49) PTGDR2PTGS2MAPTSMN1; SMN2L3MBTL1
SCHEMBL7839793 0.70 PTGS2 (0.67) PTGDR2PTGS2TP53SMN1; SMN2L3MBTL1
SCHEMBL27603285 0.69 PTGDR2 (0.64) PTGDR2PTGS2MAPTSMN1; SMN2L3MBTL1
SCHEMBL7839801 0.69 PTGS2 (1.00) PTGDR2PTGS2
SCHEMBL7842670 0.69 PTGS2 (0.79) PTGDR2PTGS2
SCHEMBL18320904 0.68 SMN1; SMN2 (0.55) PTGDR2PTGS2MAPTSMN1; SMN2L3MBTL1
SCHEMBL14345636 0.67 DHODH (0.65) PTGDR2MAPT
SCHEMBL9306082 0.66 SMN1; SMN2 (0.61) PTGS2MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL27046435 0.66 PTGS2 (0.58) PTGDR2PTGS2

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-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO disclosed