SCHEMBL7555732

SCHEMBL7555732

CCCCCN(CCCCC)CCCCC.Nc1ccc(Oc2ccc(N)cc2S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD3 P35462 1/20 0.41
SCN1A P35498 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7551904 0.96 LMNA (0.44) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL7557045 0.93 HSD17B10 (0.42) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL7554741 0.89 GAA (0.45) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL7551579 0.86 HSD17B10 (0.43) CYP1A2GAACYP2D6SCN1ASCN2A
SCHEMBL7549478 0.83 CTDSP1 (0.44) LMNACYP1A2CHRM2CYP3A4HTR1A
Trimethylammonium SCHEMBL7550916 0.83 POLB (0.45) CYP3A4GAAHSD17B10MEN1POLB
SCHEMBL2120389 0.83 RAPGEF4 (0.49) CYP3A4GAAHSD17B10MEN1POLB
Ammonia Solution, Strong SCHEMBL7555706 0.82 RAPGEF4 (0.47) CYP3A4GAAHSD17B10MEN1POLB
SCHEMBL10671280 0.81
SCHEMBL7551028 0.81 CTDSP1 (0.41) LMNACYP1A2CHRM2CYP3A4HTR1A

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-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