SCHEMBL9017983

SCHEMBL9017983

CCCC(CCC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 1/20 0.44
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
BLM P54132 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CNR1 P21554 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL9018095 0.93 LMNA (0.47) CA12CA1CA9LMNAKMT2A
SCHEMBL9018241 0.89 LMNA (0.49) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018193 0.88 LMNA (0.53) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018152 0.87 LMNA (0.49) CA12CA1CA9LMNAKMT2A
SCHEMBL9018221 0.86 LMNA (0.43) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018307 0.85 EGFR (0.41) CA12CA9
SCHEMBL9018374 0.84 ALDH1A1 (0.49) KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL9018422 0.84 CA2 (0.41) LMNAKMT2ATSHRALDH1A1TDP1
SCHEMBL9018397 0.83 P4HTM (0.41) KMT2AALDH1A1
SCHEMBL9018442 0.83 LMNA (0.51) LMNAKMT2ATSHRSMN1; SMN2HTT

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