SCHEMBL7412092

SCHEMBL7412092

CCCCOc1ccccc1S(=O)(=O)N(CC(O)CO)c1cc(C)cc(OCCNc2ccnnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.53
PSMB5 P28074 4/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7372654 0.96 F2 (0.54) F2PSMB5HPGDGAAPER2
SCHEMBL7373800 0.94 F2 (0.54) F2PSMB5HPGDTP53MAPT
SCHEMBL7374410 0.92 F2 (0.53) F2PSMB5HPGDMMP9MMP13
SCHEMBL7409794 0.92 F2 (0.63) F2HPGDGAALMNAHTT
SCHEMBL7372831 0.91 F2 (0.54) F2PSMB5HPGDPER2CRY1
SCHEMBL8648794 0.90 F2 (0.51) F2PSMB5HPGDTP53MAPT
SCHEMBL8652523 0.89 F2 (0.54) F2HPGD
SCHEMBL8648601 0.87 F2 (0.59) F2HPGDGAALMNAHTT
SCHEMBL8649210 0.86 F2 (0.60) F2HPGDGAALMNAHTT
SCHEMBL8646156 0.86 F2 (0.47) F2HPGDLMNAHTTSMN1; SMN2

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
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed
EP-0778829-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP disclosed
WO-1996006832-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed