SCHEMBL4407832

SCHEMBL4407832

COc1c(C(=O)Nc2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4417658 0.86 MAPT (0.42) MAPTTDP1SMN1; SMN2TP53RXFP1
SCHEMBL4416273 0.86 MAPK14 (0.41) MAPTTP53RXFP1TRPV1MAPK14
SCHEMBL4417279 0.86 MAPT (0.41) MAPTSMN1; SMN2TP53RXFP1TRPV1
SCHEMBL4410922 0.84 MAPT (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL4408412 0.81 MAPK14 (0.44) MAPTPOLBSMN1; SMN2TP53MAPK14
SCHEMBL5496963 0.80 MAPK14 (0.44) MAPTPOLBSMN1; SMN2MAPK14SMO
SCHEMBL14534669 0.80 MAPK14 (0.44) MAPTPOLBSMN1; SMN2MAPK14SMO
SCHEMBL4408195 0.80 PARP10 (0.48) MAPTPOLBSMN1; SMN2MAPK14SMO
SCHEMBL5480560 0.80 MEN1 (0.52) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL5487370 0.79 MAPK14 (0.44) MAPK14SMO

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