SCHEMBL9055563

SCHEMBL9055563

CC(C)(C)OC(=O)NCc1ccc(-n2cc(OC(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PIM1 P11309 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL9057039 0.85 MAPK8 (0.41) MAPK8KDM4EALDH1A1LMNAMEN1
SCHEMBL9055411 0.85 GAA (0.38) MAPK8GAAMEN1KMT2AHDAC10
SCHEMBL9056323 0.81 PIM1 (0.37) MAPK8STAT3KDM4EALDH1A1PIM1
SCHEMBL8801306 0.78 PIM1 (0.37) MAPK8STAT3KDM4EALDH1A1PIM1
SCHEMBL9056459 0.76 MAPK8 (0.42) MAPK8GAAKDM4EALDH1A1HTT
SCHEMBL9056243 0.76 MAPK8 (0.40) MAPK8KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL8801570 0.75 PIM1 (0.37) MAPK8STAT3KDM4EALDH1A1PIM1
SCHEMBL8803705 0.75 HDAC1 (0.38) STAT3KDM4EALDH1A1PIM1HDAC6
SCHEMBL10912940 0.74 ALDH1A1 (0.48) MAPK8STAT3GAAKDM4EALDH1A1
SCHEMBL6215098 0.73 PIM1 (0.43) STAT3KDM4EALDH1A1PIM1HTT

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-1996002510-A1 NOVEL 1-[4(AMINO METHYL)PHENYL] SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed