SCHEMBL7552085

SCHEMBL7552085

CCCCN(CCCC)CCCC.Nc1ccc(S(=O)(=O)c2ccc(N)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 2/20 0.47
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
DRD3 P35462 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL7547763 0.96 HTR6 (0.46) HTR6ALDH1A1PKMGAALMNA
SCHEMBL7551141 0.95 CTDSP1 (0.40) HTR6ALDH1A1PKMGAALMNA
SCHEMBL7554414 0.91 MCHR1 (0.42) HTR6ALDH1A1PKMGAAMAPT
SCHEMBL7547325 0.87 HTR6 (0.51) HTR6ALDH1A1PKMGAALMNA
SCHEMBL7551655 0.87 GAA (0.45) ALDH1A1GAALMNACYP3A4CYP2D6
SCHEMBL7551649 0.87 GAA (0.45) ALDH1A1GAALMNACYP3A4CYP2D6
Trimethylammonium SCHEMBL7555533 0.84 ALDH1A1 (0.57) HTR6ALDH1A1PKMGAALMNA
SCHEMBL7551033 0.83 CTDSP1 (0.41) ALDH1A1GAALMNACYP3A4CYP2D6
SCHEMBL7551028 0.83 CTDSP1 (0.41) ALDH1A1GAALMNACYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL7550643 0.82 ALDH1A1 (0.62) HTR6ALDH1A1PKMGAALMNA

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