SCHEMBL17284609

SCHEMBL17284609

NC1CCN(CCOCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.61
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
TEAD3 Q99594 1/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HRH3 Q9Y5N1 4/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46

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
SCHEMBL6942319 0.95 TEAD3 (0.56) LTA4HTMEM97SIGMAR1TEAD3KDM4E
SCHEMBL6947336 0.94 LTA4H (0.55) LTA4HTMEM97SIGMAR1TEAD3MEN1
SCHEMBL8109363 0.94 LTA4H (0.55) LTA4HTMEM97SIGMAR1TEAD3MEN1
SCHEMBL8115844 0.93 LTA4H (0.54) LTA4HTMEM97SIGMAR1TEAD3MEN1
SCHEMBL6947688 0.93 LTA4H (0.54) LTA4HTMEM97SIGMAR1TEAD3MEN1
SCHEMBL6943888 0.93 LTA4H (0.54) LTA4HTMEM97SIGMAR1TEAD3MEN1
SCHEMBL4318812 0.91 LTA4H (0.65) LTA4HTMEM97SIGMAR1TEAD3MEN1
SCHEMBL19557301 0.85 LTA4H (0.75) LTA4HSIGMAR1TEAD3MEN1GAA
SCHEMBL26981197 0.85 LTA4H (0.75) LTA4HSIGMAR1TEAD3MEN1GAA
SCHEMBL6855553 0.84 TEAD3 (0.58) LTA4HTMEM97SIGMAR1TEAD3KDM4E

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-2389373-B1 DERIVATIVES OF N2-(3-PYRIDYL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS INC (US) 2017-05-17 EP disclosed
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed