SCHEMBL9516933

SCHEMBL9516933

CCCCCCCCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(OCC)c(OCC)c3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
SMPD1 P17405 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL9515556 1.00 CNR2 (0.51) CNR2LMNASMN1; SMN2TDP1NPSR1
SCHEMBL9517246 0.93 CNR2 (0.53) CNR2TSHRSMPD1ALDH1A1CYSLTR1
SCHEMBL9519167 0.93 CNR2 (0.53) CNR2TSHRSMPD1ALDH1A1CYSLTR1
SCHEMBL9517977 0.89 CA1 (0.52) CNR2LMNASMN1; SMN2TSHRKMT2A
SCHEMBL9515757 0.89 CA1 (0.52) CNR2LMNASMN1; SMN2TSHRKMT2A
SCHEMBL9515761 0.88 CA1 (0.53) CNR2LMNASMN1; SMN2TSHRKMT2A
SCHEMBL9517289 0.88 MAPT (0.47) CNR2LMNASMN1; SMN2KMT2AGAA
SCHEMBL9517205 0.88 PPARA (0.46) SMN1; SMN2KMT2AGAA
SCHEMBL9519339 0.88 NPC1 (0.49) CNR2SMN1; SMN2KMT2ACYSLTR1
SCHEMBL9515521 0.88 MAPT (0.47) CNR2LMNASMN1; SMN2KMT2AGAA

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