SCHEMBL5481396

SCHEMBL5481396

Cc1ncc(C(N)=O)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
MAPK14 Q16539 8/20 0.49
SMO Q99835 8/20 0.49
SIRT2 Q8IXJ6 2/20 0.46
SIRT3 Q9NTG7 2/20 0.46
KCNH2 Q12809 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5485509 0.91 MAPK14 (0.49) PARP10MAPK14SMOKCNH2KDM4E
SCHEMBL14534447 0.88 ALDH1A1 (0.51) PARP10MAPK14SMOKCNH2KDM4E
SCHEMBL5489925 0.88 PARP10 (0.48) PARP10MAPK14SMOKCNH2KDM4E
SCHEMBL4408195 0.85 PARP10 (0.48) PARP10MAPK14SMOSIRT2SIRT3
SCHEMBL5480560 0.82 MEN1 (0.52) MAPK14SMOKCNH2NPC1RAB9A
SCHEMBL5487370 0.82 MAPK14 (0.44) PARP10MAPK14SMOKCNH2
SCHEMBL4416216 0.82 MAPK14 (0.53) MAPK14SMOKCNH2
SCHEMBL14534467 0.80 NR1H4 (0.49) MAPK14SMOKCNH2
SCHEMBL4415122 0.80 MAPK14 (0.69) MAPK14SMO
SCHEMBL14534669 0.80 MAPK14 (0.44) PARP10MAPK14SMOKCNH2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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