SCHEMBL9515580

SCHEMBL9515580

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.43
EGFR P00533 2/20 0.39
BCL2L1 Q07817 6/20 0.38
MCL1 Q07820 6/20 0.38
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
CASP3 P42574 1/20 0.35
GFER P55789 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL9519522 0.91 P4HTM (0.46) P4HTMEGFRBCL2L1MCL1TP53
SCHEMBL9516113 0.88 P4HTM (0.44) P4HTMEGFRBCL2L1MCL1
SCHEMBL9519377 0.87 P4HTM (0.45) P4HTMEGFRBCL2L1MCL1USP2
SCHEMBL9566780 0.86 KMT2A (0.45) P4HTMTP53MAPT
SCHEMBL9518074 0.82 P4HTM (0.39) P4HTMEGFRBCL2L1MCL1PTGS2
SCHEMBL9517920 0.80 P4HTM (0.51) P4HTMEGFRBCL2L1MCL1GFER
SCHEMBL9517044 0.78 P4HTM (0.47) P4HTMEGFRBCL2L1MCL1
SCHEMBL8869937 0.78 P4HTM (0.52) P4HTMEGFRBCL2L1MCL1
SCHEMBL9515597 0.76 P4HTM (0.48) P4HTMEGFRBCL2L1MCL1PTGS2
SCHEMBL9566768 0.76 P4HTM (0.46) P4HTMTP53MAPT

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