SCHEMBL5281280

SCHEMBL5281280

CSc1ccc(-n2c(-c3ccc(F)cc3)cc(=O)n(CC#N)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.39
PTGS1 P23219 4/20 0.37
KDM4E B2RXH2 1/20 0.34
CHRNA7 P36544 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 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
SCHEMBL14624155 0.87 KDM4E (0.33) PTGS2PTGS1KDM4E
SCHEMBL5288747 0.87 PTGS2 (0.38) PTGS2PTGS1KDM4ECHRNA7
SCHEMBL5288324 0.86 L3MBTL1 (0.36) PTGS2KDM4E
SCHEMBL5324677 0.81 RGS4 (0.46) PTGS2PTGS1
SCHEMBL5280436 0.79 POLB (0.37) PTGS2PTGS1KDM4E
SCHEMBL14624160 0.79 HTT (0.35) PTGS2PTGS1CHRNA7
SCHEMBL5296183 0.77 POLB (0.34) PTGS2PTGS1KDM4E
SCHEMBL5325697 0.75 RAD51 (0.40) PTGS2PTGS1CHRNA7
SCHEMBL5331474 0.74 PTGS2 (0.38) PTGS2PTGS1KDM4ECHRNA7
SCHEMBL14622453 0.74 CYP11B1 (0.43) KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed