SCHEMBL29917375

SCHEMBL29917375

COC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
PDK2 Q15119 1/20 0.56
ERN1 O75460 2/20 0.55
PLAU P00749 5/20 0.54
DHODH Q02127 1/20 0.53
SDHB P21912 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
PGGT1B P53609 1/20 0.50
KIF11 P52732 1/20 0.50
DGAT2 Q96PD7 1/20 0.49
PLAT P00750 2/20 0.49
PLG P00747 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49

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
SCHEMBL28507787 1.00 CA12 (0.59) CA12CA9CA1CA2PDK2
SCHEMBL7824610 0.89 PDK2 (0.54) CA12CA9CA1CA2PDK2
SCHEMBL8442634 0.88 ERN1 (0.53) CA12CA9CA1CA2PDK2
SCHEMBL27715902 0.85 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL9798788 0.85 PLAU (0.58) CA12CA9CA1CA2PDK2
SCHEMBL68931 0.84 CA12 (0.69) CA12CA9CA1CA2ERN1
SCHEMBL13063663 0.84 LMNA (0.56) CA12CA9CA1CA2KIF11
SCHEMBL2271347 0.84 LMNA (0.56) CA12CA9CA1CA2KIF11
SCHEMBL67941 0.83 CA12 (0.68) CA12CA9CA1CA2PDK2
Trifluoroacetic Acid SCHEMBL27749215 0.83 PDK2 (0.57) CA12CA9CA1CA2PDK2

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-111978200-B Biphenylamide derivative, preparation method and application 湖北省生物农药工程研究中心 2022-09-13 CN disclosed