SCHEMBL7549851

SCHEMBL7549851

CCCCN(CCCC)CCCC.Nc1ccc(S(=O)(=O)O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
CYP3A4 P08684 2/20 0.46
DRD3 P35462 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MAPT P10636 4/20 0.45
RAPGEF4 Q8WZA2 1/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
RECQL P46063 3/20 0.38
L3MBTL1 Q9Y468 3/20 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
SCHEMBL7549857 1.00 GAA (0.46) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7555909 0.95 GAA (0.42) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7555906 0.95 GAA (0.42) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7551649 0.90 GAA (0.45) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7551655 0.90 GAA (0.45) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7551470 0.87 GAA (0.45) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7551464 0.87 GAA (0.45) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7550387 0.86 DRD3 (0.39) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7550395 0.86 DRD3 (0.39) GAACYP3A4DRD3LMNACYP1A2
SCHEMBL7551033 0.85 CTDSP1 (0.41) GAACYP3A4DRD3LMNACYP1A2

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-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed