SCHEMBL7549231

SCHEMBL7549231

CCN(CC)CC.CCN(CC)CC.Nc1ccc(S(=O)(=O)c2ccc(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
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 6/20 0.41
PKM P14618 2/20 0.41
HTR6 P50406 1/20 0.41
CA2 P00918 4/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP6 P55212 1/20 0.37
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 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
SCHEMBL7547325 0.94 HTR6 (0.51) CTDSP1GAAMAPTALDH1A1PKM
Trimethylammonium SCHEMBL7551091 0.87 GAA (0.47) CTDSP1GAAMAPTALDH1A1PKM
SCHEMBL1376733 0.87 GAA (0.53) CTDSP1GAAMAPTALDH1A1PKM
SCHEMBL7551141 0.85 CTDSP1 (0.40) CTDSP1GAAMAPTALDH1A1PKM
Ammonia Solution, Strong SCHEMBL7551133 0.85 GAA (0.52) CTDSP1GAAMAPTALDH1A1PKM
SCHEMBL7554414 0.84 MCHR1 (0.42) CTDSP1GAAMAPTALDH1A1PKM
SCHEMBL7551944 0.84 CTDSP1 (0.46) CTDSP1GAAMAPTALDH1A1TSHR
SCHEMBL7551938 0.84 CTDSP1 (0.46) CTDSP1GAAMAPTALDH1A1TSHR
SCHEMBL7550164 0.81 CTDSP1 (0.44) CTDSP1GAAMAPTALDH1A1TSHR
Trimethylammonium SCHEMBL7555533 0.81 ALDH1A1 (0.57) CTDSP1GAAMAPTALDH1A1PKM

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