SCHEMBL516054

SCHEMBL516054

O=S(=O)(O)CCCN1CCOCC1.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 3/20 0.40
PAOX Q6QHF9 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
GAA P10253 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 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
SCHEMBL164218 1.00 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1KEAP1
SCHEMBL1253282 0.95 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1KEAP1
SCHEMBL555454 0.95 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1KEAP1
SCHEMBL207631 0.92 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8646445 0.92 KEAP1 (0.48) KDM4EALDH1A1KMT2AMEN1KEAP1
SCHEMBL2411125 0.88 KEAP1 (0.52) KDM4EALDH1A1KMT2AMEN1KEAP1
SCHEMBL15732 0.88 KEAP1 (0.52) KDM4EALDH1A1KMT2AMEN1KEAP1
SCHEMBL98490 0.88 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1170638 0.86 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9493022 0.86 ALDH1A1 (0.45) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416416-B2 Biological specimen collection/transport compositions and methods LONGHORN VACCINES AND DIAGNOSTICS, LLC (US) 2016-08-16 US disclosed
US-8618056-B2 Methods and compositions for treating conditions related to lack of blood supply, shock and neuronal injuries VIVACELLE BIO, INC. 2013-12-31 US disclosed
US-20120087956-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS RELATED TO LACK OF BLOOD SUPPLY, SHOCK AND NEURONAL INJURIES VIVACELLE BIO, INC. 2012-04-12 US disclosed
US-20120028235-A1 RESUSCITATION FLUID VIVACELLE BIO, INC. 2012-02-02 US disclosed
EP-0815081-B1 PIPERIDINYL-2-ALKYL SUBSTITUTED LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION NOVARTIS AG (CH) 2001-10-04 EP disclosed
US-5834486-A ANTIPROLIFERATIVE, ANTIPROTOZOA AGENTS NOVARTIS AG (CH) 1998-11-10 US disclosed
EP-0686143-B1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA GEIGY AG (CH) 1998-08-12 EP disclosed
US-5627215-A Unsaturate amino compounds for use as anticancer and antiprotozoic agent CIBA-GEIGY CORPORATION (US) 1997-05-06 US disclosed
EP-0686143-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT Novartis AG (CH) 1995-12-13 EP disclosed
WO-1995018091-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA-GEIGY AG (CH) 1995-07-06 WO disclosed