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Sugi Predict / Compounds / SCHEMBL28294500

SCHEMBL28294500

SCHEMBL28294500

NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 1.00
▸ PTGS1 P23219 3/20 0.80
▸ CHRNA7 P36544 2/20 0.66
▸ MEN1 O00255 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ CYP2C9 P11712 1/20 0.61

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
SCHEMBL28292886 0.89 PTGS2 (1.00) PTGS2CHRNA7MEN1MAPTKMT2A
SCHEMBL28294491 0.89 PTGS2 (1.00) PTGS2PTGS1CHRNA7CYP2C9
SCHEMBL28292993 0.87 PTGS2 (1.00) PTGS2CHRNA7MEN1MAPTKMT2A
SCHEMBL28292890 0.87 PTGS2 (1.00) PTGS2CHRNA7MEN1MAPTKMT2A
SCHEMBL28872997 0.87 PTGS2 (1.00) PTGS2PTGS1CHRNA7MEN1MAPT
SCHEMBL28292903 0.85 PTGS2 (1.00) PTGS2CHRNA7
SCHEMBL28292893 0.83 PTGS2 (1.00) PTGS2PTGS1CHRNA7MEN1MAPT
SCHEMBL28294492 0.83 CHRNA7 (0.77) PTGS2PTGS1CHRNA7CYP2C9
SCHEMBL28292892 0.83 PTGS2 (1.00) PTGS2PTGS1CHRNA7
SCHEMBL3103035 0.81 PTGS2 (0.80) PTGS2PTGS1CHRNA7MEN1MAPT

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
CN-109748872-A The design and synthesis of the morpholine derivative antitumoral compounds of one kind skeleton containing diaryl pyrazole 南京大学 2019-05-14 — — CN disclosed