SCHEMBL4724283

SCHEMBL4724283

COc1cccc(-c2cc(-c3ccccc3)c(=O)n(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
HTT P42858 1/20 0.50
HTR6 P50406 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
PKM P14618 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4720627 0.90 MAPT (0.49) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4720172 0.89 MAPT (0.54) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721108 0.89 MAPT (0.48) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4722671 0.89 MAPT (0.50) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723059 0.89 MAPT (0.47) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4722604 0.89 MAPT (0.51) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4722824 0.89 MAPT (0.47) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4721264 0.89 MAPT (0.56) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4723306 0.89 NPSR1 (0.48) MAPTHTTHTR6NPSR1LMNA
SCHEMBL4719536 0.89 MAPT (0.51) MAPTHTTHTR6NPSR1LMNA

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed