SCHEMBL7254196

SCHEMBL7254196

CSc1ccc(-c2ccoc(=O)c2-c2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGS2 P35354 6/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
PTGS1 P23219 3/20 0.35
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL7257843 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7022294 0.81 PTGS2 (0.45) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL7254588 0.79 PTGS2 (0.47) PTGS2
SCHEMBL7255519 0.71 KDM4E (0.43) PTGS2ALDH1A1PTGS1AR
SCHEMBL7254182 0.70 PTGS2 (0.40) PTGS2ALDH1A1PTGS1AR
SCHEMBL7257818 0.69 PTGS1 (0.41) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8112979 0.69 PTGS2 (0.68) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL25372606 0.69 LMNA (0.44) ALDH1A1
Ammonia Solution, Strong SCHEMBL27829594 0.67 LMNA (0.43) ALDH1A1
SCHEMBL10954891 0.67 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14PTGS2

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-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO disclosed