SCHEMBL4551322

SCHEMBL4551322

Cc1ncc(Nc2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.61
SMO Q99835 2/20 0.61
MET P08581 2/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AHR P35869 1/20 0.41
GFER P55789 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KLF5 Q13887 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL4551330 0.99 MAPK14 (0.60) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551323 0.91 MAPK14 (0.72) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551883 0.90 MAPK14 (0.55) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551331 0.90 MAPK14 (0.71) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551752 0.90 MAPK14 (0.54) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4411010 0.84 MAPK14 (0.73) MAPK14SMODGAT1
SCHEMBL4551884 0.83 MAPK14 (0.64) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551753 0.82 MAPK14 (0.64) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551496 0.79 MAPK14 (0.51) MAPK14MAPTL3MBTL1
SCHEMBL4551652 0.78 NR3C1 (0.53) MAPK14METHTR2AMAPTSMN1; SMN2

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