SCHEMBL7304296

SCHEMBL7304296

Clc1ncnc(Cl)c1Oc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAOB P27338 9/20 0.51
MAOA P21397 4/20 0.46
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
NOS2 P35228 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
FKBP1A P62942 1/20 0.38

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
SCHEMBL6165864 0.77 ALDH1A1 (0.78) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL11379943 0.77 MAOB (0.50) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL28446570 0.75 MAPK1 (0.64) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL22162810 0.73 MEN1 (0.64) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL6945487 0.73 MAPK1 (0.49) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL6939958 0.73 MEN1 (0.53) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL30969596 0.73 PDE5A (0.54) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL6942370 0.73 NOS2 (0.56) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL108699 0.72 NOS2 (0.66) MAPK1ALDH1A1MAOBMAOARAB9A
SCHEMBL22404289 0.72 CLK4 (0.50) MAPK1ALDH1A1RAB9ANPC1KMT2A

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-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed