SCHEMBL7302716

SCHEMBL7302716

COc1ccc(F)cc1Oc1c(OCC2COC(C)(C)O2)ncnc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.35
JAK2 O60674 3/20 0.33
NTRK1 P04629 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
NR1H2 P55055 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL7295229 0.83 EDNRA (0.37) LMNAHTTGAA
SCHEMBL7304769 0.79 EDNRA (0.37)
SCHEMBL7293090 0.79 EDNRA (0.37)
SCHEMBL7325135 0.79 EDNRA (0.44) LMNAHTTALDH1A1CYP1A2CYP3A4
SCHEMBL7013541 0.76 LMNA (0.34) JAK2LMNANR1H2JAK1TYK2
SCHEMBL7306778 0.76 LMNA (0.39) LMNAHTTALDH1A1CYP1A2CYP3A4
SCHEMBL7303380 0.73 EDNRA (0.55)
SCHEMBL7302710 0.73 EDNRA (0.55)
SCHEMBL9423429 0.73 EDNRA (0.55)
SCHEMBL8326451 0.71 EDNRA (0.41) LMNAHTTALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed