SCHEMBL11633754

SCHEMBL11633754

COC(=O)c1ccc(Cc2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
POLB P06746 4/20 0.48
MAPK1 P28482 1/20 0.48
PARP1 P09874 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
PABPC1 P11940 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL1403615 0.84 CYP2C19 (0.59) MAPTPOLBMAPK1KMT2AMEN1
SCHEMBL30232741 0.84 CYP2C19 (0.59) MAPTPOLBMAPK1KMT2AMEN1
SCHEMBL11632125 0.83 P4HTM (0.56) MAPTPOLBKMT2AMEN1CYP2C19
SCHEMBL11632758 0.83 P4HTM (0.56) MAPTPOLBKMT2AMEN1CYP2C19
SCHEMBL11632984 0.81 MAPK1 (0.54) MAPTPOLBMAPK1PARP1L3MBTL1
SCHEMBL11630275 0.81 MAPK1 (0.54) MAPK1PARP1L3MBTL1P4HTM
SCHEMBL753810 0.80 MAPK1 (0.53) MAPTPOLBMAPK1PARP1KMT2A
SCHEMBL4285254 0.80 MAPK1 (0.53) POLBMAPK1PARP1CYP2C19L3MBTL1
SCHEMBL11635977 0.80 MAPK1 (0.53) MAPTMAPK1PARP1KMT2AMEN1
SCHEMBL6014107 0.80 MEN1 (0.51) MAPTPOLBMAPK1KMT2AMEN1

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
US-4109000-A HYPOTENSIVES NIPPON SHINYAKU CO., LTD. (JP) 1978-08-22 US disclosed