SCHEMBL9515903

SCHEMBL9515903

CCCCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3ccc(COC(=O)c4ccccc4C)nc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.43
PPARA Q07869 1/20 0.42
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA12 O43570 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
SCHEMBL9517352 0.86 LMNA (0.49) MEN1KMT2ASMN1; SMN2CYSLTR1ALDH1A1
SCHEMBL9517201 0.86 TSHR (0.52) NPC1RAB9AMAPTCYSLTR1CA1
SCHEMBL9519208 0.85 P4HTM (0.39) KMT2AMAPTCYSLTR1BCL2L1MCL1
SCHEMBL9519339 0.85 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9515737 0.85 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9517947 0.84 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9515933 0.81 P4HTM (0.55) KMT2AMAPTBCL2L1MCL1ALDH1A1
SCHEMBL9517969 0.81 EPHX2 (0.44) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8868704 0.81 P4HTM (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9517102 0.80 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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