SCHEMBL7053110

SCHEMBL7053110

COc1ccc2ccccc2c1-c1nc(-c2ncccc2[N+](=O)[O-])no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 2/20 0.41
POLB P06746 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL6451316 0.84 MAPT (0.43) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL7049815 0.83 MAPT (0.48) MAPTL3MBTL1MEN1KMT2AS1PR1
SCHEMBL6457047 0.81 S1PR1 (0.58) MAPTL3MBTL1MEN1KMT2AS1PR1
SCHEMBL6450875 0.79 MAPT (0.56) MAPTL3MBTL1KMT2APOLBNPC1
SCHEMBL6450392 0.77 NPC1 (0.63) MAPTL3MBTL1MEN1KMT2AS1PR1
SCHEMBL6448628 0.76 MAPK1 (0.47) MAPTL3MBTL1MEN1KMT2AS1PR1
SCHEMBL6449381 0.74 NPC1 (0.58) MAPTMEN1KMT2APOLBNPC1
SCHEMBL6452435 0.72 MAPT (0.45) MAPTL3MBTL1MEN1KMT2AS1PR1
SCHEMBL6454080 0.71 MAPT (0.52) MAPTL3MBTL1MEN1KMT2AS1PR1
SCHEMBL6454629 0.71 CASP3 (0.54) MAPTMEN1KMT2APOLBNPC1

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-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed