SCHEMBL4551565

SCHEMBL4551565

COc1cccc(CNC(=O)c2cc(-c3cc(Nc4cc(F)cc(N5CCOCC5)c4)ccc3C)no2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
PLAU P00749 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRAF P15056 7/20 0.39
RAF1 P04049 6/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 2/20 0.37
ALOX12 P18054 1/20 0.37
NAMPT P43490 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL4551566 0.91 BRAF (0.49) PLAUBRAFRAF1MAPK14
SCHEMBL4551775 0.87 MAPT (0.48) MAPTRAB9AKDM4EBRAFRAF1
SCHEMBL5604081 0.86 RAF1 (0.42) MAPTPLAUKDM4EBRAFRAF1
SCHEMBL4541474 0.85 RAF1 (0.42) PLAUKDM4EBRAFRAF1L3MBTL1
SCHEMBL4551703 0.82 MAPK14 (0.48) PLAUBRAFRAF1MAPK14
SCHEMBL5603996 0.82 NAMPT (0.45) MAPTBRAFRAF1TP53MAPK14
SCHEMBL4552281 0.82 RAF1 (0.45) PLAUBRAFRAF1MAPK14
SCHEMBL4551975 0.82 L3MBTL1 (0.46) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL4551493 0.81 NAMPT (0.43) MAPTBRAFRAF1TP53MAPK14
SCHEMBL5603194 0.80 RAF1 (0.43) PLAUALDH1A1BRAFRAF1MAPK14

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed