SCHEMBL7254182

SCHEMBL7254182

CSc1ccc(-c2ccoc(=O)c2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.40
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 3/20 0.33
GSK3B P49841 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL7255519 0.81 KDM4E (0.43) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL7028615 0.74 RAB9A (0.41) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL7254570 0.70 PTGS2 (0.43) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL7257818 0.70 PTGS1 (0.41) PTGS2ALDH1A1KDM4EPTGS1
SCHEMBL7254196 0.70 MAPK13 (0.39) PTGS2ALDH1A1PTGS1AR
SCHEMBL7024718 0.70 KDM4E (0.35) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL7254215 0.70 KDM4E (0.50) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL10954891 0.67 MAPK14 (0.61) PTGS2ALDH1A1PTGS1GSK3B
SCHEMBL28970802 0.66 GSK3B (0.38) PTGS2ALDH1A1KDM4EGLAGAA
SCHEMBL7030836 0.66 GSK3B (0.47) PTGS2ALDH1A1KDM4EGLAGAA

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