SCHEMBL3673649

SCHEMBL3673649

NC(=O)c1ncccc1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 2/20 0.39
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TKT P29401 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL4024006 0.86 KDM4E (0.46) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL1503132 0.85 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL3716799 0.84 KDM4E (0.45) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL28252084 0.84 KDM4E (0.45) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL14358101 0.84 KDM4E (0.66) KDM4EMAPTCYP1A2ALDH1A1CYP3A4
SCHEMBL28001171 0.83 KDM4E (0.50) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL9339156 0.83 KDM4E (0.44) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL4030545 0.81 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL2516051 0.81 KDM4E (0.49) KDM4EMAPTCYP1A2MKNK1MKNK2
SCHEMBL11182436 0.81 KDM4E (0.47) KDM4EMAPTCYP1A2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed