SCHEMBL7550164

SCHEMBL7550164

CCN(CC)CC.CCN(CC)CC.Nc1ccc(Cc2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.44
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CDC25B P30305 3/20 0.40
CASP6 P55212 1/20 0.40
RCE1 Q9Y256 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 2/20 0.36

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
Trimethylammonium SCHEMBL7550558 0.89 POLB (0.44) CTDSP1POLBRECQLESR2GAA
SCHEMBL8400669 0.88 GAA (0.50) CTDSP1POLBRECQLESR2GAA
Ammonia Solution, Strong SCHEMBL7547968 0.87 GAA (0.48) CTDSP1POLBRECQLESR2GAA
SCHEMBL7550180 0.85 MAPT (0.42) CTDSP1POLBRECQLESR2GAA
SCHEMBL7555699 0.84 CTDSP1 (0.40) CTDSP1POLBRECQLESR2GAA
SCHEMBL7551944 0.84 CTDSP1 (0.46) CTDSP1POLBRECQLGAAKDM4E
SCHEMBL7551938 0.84 CTDSP1 (0.46) CTDSP1POLBRECQLGAAKDM4E
SCHEMBL13071938 0.83 POLB (0.59) CTDSP1POLBRECQLESR2GAA
SCHEMBL8747645 0.82 CTDSP1 (0.49) CTDSP1POLBRECQLESR2GAA
SCHEMBL7549231 0.81 CTDSP1 (0.44) CTDSP1GAAKDM4EMAPTRAB9A

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