SCHEMBL9517044

SCHEMBL9517044

CC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 2/20 0.42
BCL2L1 Q07817 5/20 0.41
MCL1 Q07820 5/20 0.41
EPHX2 P34913 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN9A Q15858 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL9517920 0.90 P4HTM (0.51) P4HTMNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9519522 0.87 P4HTM (0.46) P4HTMNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9515597 0.86 P4HTM (0.48) P4HTMNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9515686 0.86 P4HTM (0.62) P4HTMEGFRHDAC3HDAC4HDAC1
SCHEMBL9517172 0.83 BCL2L1 (0.50) P4HTMBCL2L1MCL1SCN9A
SCHEMBL9566814 0.83 P4HTM (0.47) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9517241 0.83 P4HTM (0.61) P4HTMEGFRBCL2L1MCL1
SCHEMBL9516113 0.79 P4HTM (0.44) P4HTMNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9515580 0.78 P4HTM (0.43) P4HTMEGFRBCL2L1MCL1
SCHEMBL9519274 0.77 SCN3A (0.51) P4HTMBCL2L1MCL1EPHX2ALDH1A1

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
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed