SCHEMBL4551752

SCHEMBL4551752

Cc1ncc(Nc2cc(N3CCCCC3)cc(C(F)(F)F)c2)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.54
SMO Q99835 2/20 0.51
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
MET P08581 1/20 0.43
RHOA P61586 1/20 0.43
NR3C1 P04150 1/20 0.41
MAPT P10636 5/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AHR P35869 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 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
SCHEMBL4551883 0.99 MAPK14 (0.55) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551753 0.91 MAPK14 (0.64) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551884 0.91 MAPK14 (0.64) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551330 0.90 MAPK14 (0.60) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551322 0.90 MAPK14 (0.61) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL5490044 0.84 MAPK14 (0.74) MAPK14SMO
SCHEMBL4551331 0.83 MAPK14 (0.71) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551323 0.82 MAPK14 (0.72) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4411010 0.76 MAPK14 (0.73) MAPK14SMOMEN1KMT2A
SCHEMBL5489925 0.73 PARP10 (0.48) MAPK14SMOHTR2AHTR2CHTR2B

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 3 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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed