SCHEMBL6712876

SCHEMBL6712876

O=[N+]([O-])c1ccc(N2CCCNCC2)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.76
AR P10275 2/20 0.76
MAPT P10636 10/20 0.69
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 3/20 0.54
HTT P42858 1/20 0.53
TNNI3 P19429 1/20 0.52
TNNT2 P45379 1/20 0.52
TNNC1 P63316 1/20 0.52
HTR6 P50406 5/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTR7 P34969 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL2711827 0.94 CTSB (0.75) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL3603749 0.87 CTSB (1.00) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL3598358 0.86 CTSB (0.97) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL3055471 0.83 MAPT (0.60) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL3620838 0.78 CTSB (0.76) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL29577374 0.77 CTSB (0.75) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4871412 0.77 CTSB (1.00) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL22858551 0.77 CTSB (0.75) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4091489 0.77 AR (0.65) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL6320708 0.76 MAPT (0.81) CTSBARMAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO disclosed