SCHEMBL5332987

SCHEMBL5332987

Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.52
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 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
SCHEMBL14346342 0.86 MAPK1 (0.53) L3MBTL1MAPK1TDP1POLBKDM4E
SCHEMBL11710635 0.71 KDM4E (0.66) POLBPARP1KDM4EKMT2AHTT
SCHEMBL13525164 0.71 KDM4E (0.66) MAPK1POLBKDM4EKMT2AHTT
SCHEMBL10621375 0.70 EED (0.52) L3MBTL1MAPK1TDP1POLBKDM4E
SCHEMBL22525270 0.70 KDM4E (0.64) POLBPARP1KDM4EKMT2AHTT
SCHEMBL11281301 0.68 KMT2A (0.73) L3MBTL1MAPK1KMT2AHTTMEN1
SCHEMBL7345342 0.68 ALDH1A1 (0.67) L3MBTL1TDP1POLBKDM4EKMT2A
SCHEMBL4864913 0.67 MEN1 (0.59) L3MBTL1MAPK1POLBKDM4EKMT2A
SCHEMBL6006626 0.67 MEN1 (0.57) POLBKDM4EKMT2AHTTMEN1
SCHEMBL4026091 0.67 KDM4E (0.71) POLBKDM4EKMT2AHTTMEN1

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-2007146230-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-12-21 WO claimed