SCHEMBL262359

SCHEMBL262359

C=CCOc1ccc(C(=N)NO)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
PTPN1 P18031 4/20 0.50
FLT3 P36888 1/20 0.48
GAA P10253 4/20 0.41
MAPT P10636 2/20 0.41
MGAM O43451 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LSS P48449 1/20 0.39
LIG1 P18858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MTNR1A P48039 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3217934 0.83 ALDH1A1 (0.43) ALDH1A1PTPN1FLT3GAAMAPT
SCHEMBL3275362 0.81 MAPT (0.54) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL3340573 0.81 MEN1 (0.41) ALDH1A1FLT3GAAMAPTLMNA
SCHEMBL1938254 0.79 ALDH1A1 (0.64) ALDH1A1PTPN1FLT3KMT2AKDM4E
SCHEMBL24436737 0.76 ALDH1A1 (0.58) ALDH1A1PTPN1FLT3GAAMAPT
SCHEMBL4982441 0.76 ALDH1A1 (0.60) ALDH1A1PTPN1FLT3GAAMAPT
SCHEMBL7792853 0.75 ALDH1A1 (0.55) ALDH1A1PTPN1FLT3GAAMAPT
SCHEMBL1940000 0.75 ALDH1A1 (0.58) ALDH1A1PTPN1FLT3LMNASMN1; SMN2
SCHEMBL22215820 0.75 KDM4E (0.57) ALDH1A1FLT3GAAMAPTMGAM
SCHEMBL2718294 0.74 THRA (0.48) GAA

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
WO-2008035239-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-27 WO disclosed
WO-2008035239-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-27 WO disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed