SCHEMBL7336404

SCHEMBL7336404

O=S(=O)(Oc1cc(O)cc(Cl)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
ENPP3 O14638 2/20 0.47
ENPP1 P22413 2/20 0.47
ITGA1 P56199 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
MAPT P10636 3/20 0.40
ENPP2 Q13822 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
F2 P00734 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7336000 0.83 F2 (0.50) ITGA1F2MEN1KMT2A
SCHEMBL7056979 0.81 F2 (0.57) TDP1ITGA1F2MEN1KMT2A
SCHEMBL5866138 0.81 MEN1 (0.48) TDP1SMN1; SMN2MAOBALDH1A1ALPL
SCHEMBL4622013 0.78 TDP1 (0.64) TDP1ENPP3ENPP1SMN1; SMN2MAOB
SCHEMBL2238589 0.78 TDP1 (0.66) TDP1ENPP3ENPP1SMN1; SMN2MAOB
SCHEMBL7336916 0.78 ALDH1A1 (0.55) TDP1ENPP3ENPP1SMN1; SMN2MAOB
SCHEMBL7327550 0.78 TDP1 (0.53) TDP1ENPP3ENPP1ALDH1A1F2
SCHEMBL7334799 0.77 F2 (0.55) TDP1SMN1; SMN2MAOBALDH1A1MAPT
SCHEMBL165491 0.75 TDP1 (1.00) TDP1ENPP3ENPP1SMN1; SMN2MAOB
SCHEMBL9495042 0.75 TDP1 (0.67) TDP1ENPP3ENPP1SMN1; SMN2MAOB

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed