SCHEMBL9517229

SCHEMBL9517229

Cc1ccccc1C(=O)OCc1ccc(C(=O)NS(=O)(=O)C(C=O)c2cccc(F)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
CASP3 P42574 3/20 0.34
GABRA5 P31644 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL9519643 0.87 GRM5 (0.39) GRM5CASP3GABRA5HDAC6CXCR1
SCHEMBL9516262 0.85 GRM5 (0.40) GRM5CASP3GABRA5LMNAHDAC6
SCHEMBL9517233 0.85 POLB (0.38) POLBSMN1; SMN2TDP1GRM5L3MBTL1
SCHEMBL9517025 0.82 CASP3 (0.39) GRM5L3MBTL1RAB9ACASP3HDAC6
SCHEMBL9517088 0.80 CXCR2 (0.38) CASP3MAPTCXCR1CXCR2P4HTM
SCHEMBL9517994 0.78 P4HTM (0.49) POLBSMN1; SMN2L3MBTL1KDM4EGAA
SCHEMBL9519634 0.77 HDAC1 (0.39) CASP3HDAC6
SCHEMBL9515607 0.77 EPHX2 (0.40) CASP3GABRA5HDAC6CXCR1CXCR2
SCHEMBL9515933 0.75 P4HTM (0.55) L3MBTL1KDM4EGAACASP3TP53
SCHEMBL9519391 0.74 HDAC6 (0.38) CASP3HDAC6

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