SCHEMBL9018095

SCHEMBL9018095

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
BLM P54132 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CNR1 P21554 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL9017983 0.93 CA12 (0.46) LMNAKMT2ACA12CA1CA9
SCHEMBL9018374 0.91 ALDH1A1 (0.49) KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL9018241 0.90 LMNA (0.49) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018193 0.90 LMNA (0.53) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018152 0.88 LMNA (0.49) LMNAKMT2ACA12CA1CA9
SCHEMBL9018074 0.85 MAPT (0.45) LMNAKMT2ATSHRSMN1; SMN2BLM
SCHEMBL9018273 0.84 LMNA (0.51) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018442 0.84 LMNA (0.51) LMNAKMT2ATSHRSMN1; SMN2HTT
SCHEMBL9018203 0.84 EGFR (0.42) CA12CA9
SCHEMBL9018486 0.84 LMNA (0.42) LMNAKMT2ATSHRSMN1; SMN2BLM

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