SCHEMBL3677819

SCHEMBL3677819

NC(=O)c1nccc(CCO)c1CCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.34
MAP2K3 P46734 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL8945357 0.83 KDM4E (0.38) BRAFLRRK2KDM4E
SCHEMBL27699318 0.81 NOS2 (0.41) BRAFLRRK2KMT2AKDM4ENR3C2
SCHEMBL3673649 0.77 KDM4E (0.46) KDM4ECYP1A2MAPT
SCHEMBL8598306 0.75 NOS3 (0.39) BRAFMAP2K3KMT2AKDM4ECYP1A2
SCHEMBL28208498 0.75 CCNC (0.39) BRAFMAP2K3KMT2AKDM4ECYP1A2
SCHEMBL6022177 0.74 NOS2 (0.43) KDM4EMAPT
SCHEMBL4745637 0.72 KMT2A (0.31) KMT2A
SCHEMBL27583503 0.72 ADORA3 (0.36) BRAFLRRK2KMT2A
SCHEMBL27719840 0.70 NOS2 (0.42) BRAFKMT2AKDM4ENR3C2
SCHEMBL31275306 0.70 L3MBTL1 (0.34) MAP2K3KMT2AKDM4ENR3C2

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 5 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
CN-105078652-B Intelligent compression system based on shape memory material 香港理工大学 2019-03-15 CN disclosed
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