SCHEMBL4410922

SCHEMBL4410922

COc1ccc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccccn3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TP53 P04637 3/20 0.49
PDE5A O76074 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1H4 Q96RI1 3/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AHR P35869 2/20 0.44
MAPK14 Q16539 2/20 0.43
SMO Q99835 2/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL14534467 0.87 NR1H4 (0.49) NR1H4PPARGPPARAMEN1KMT2A
SCHEMBL4417658 0.86 MAPT (0.42) MAPTTP53PDE5AHDAC11HDAC8
SCHEMBL4408412 0.85 MAPK14 (0.44) MAPTTP53SMN1; SMN2MAPK14SMO
SCHEMBL4417279 0.85 MAPT (0.41) MAPTTP53PDE5AHDAC11HDAC8
SCHEMBL4407832 0.84 MEN1 (0.47) MAPTTP53RXFP1SMN1; SMN2KDM4E
SCHEMBL5496963 0.84 MAPK14 (0.44) MAPTSMN1; SMN2MAPK14SMOPOLB
SCHEMBL4416273 0.84 MAPK14 (0.41) MAPTTP53RXFP1MAPK14SMO
SCHEMBL14534669 0.83 MAPK14 (0.44) MAPTSMN1; SMN2MAPK14SMOPOLB
SCHEMBL4408195 0.83 PARP10 (0.48) MAPTSMN1; SMN2MAPK14SMOPOLB
SCHEMBL4410077 0.82 MAPK14 (0.43) MAPTSMN1; SMN2NR1H4MAPK14SMO

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