SCHEMBL9018409

SCHEMBL9018409

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)C3CCCCC3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CNR1 P21554 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
THRB P10828 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 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
SCHEMBL9018264 0.94 CYP3A4 (0.44) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018314 0.92 MAPT (0.49) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018074 0.90 MAPT (0.45) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018297 0.89 TSHR (0.46) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018338 0.89 MAPT (0.44) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018006 0.89 MAPT (0.44) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018170 0.89 LMNA (0.46) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9140361 0.87 MAPT (0.53) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018372 0.87 LMNA (0.44) MAPTTSHRCYP3A4LMNAHTR1A
SCHEMBL9018078 0.87 ACACB (0.48) MAPTTSHRCYP3A4LMNAHTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed